 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_wB97XD-augccpVDZr.in
 Output=02_dimethylenespyropentane_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/02_dimethylenespyropentane_STD/Gau-4661.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4662.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=02_dimethylenespyropentane_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:40:54 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:40:55 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Thu Jul  8 21:40:55 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 260 were deleted.
 There are   247 symmetry adapted cartesian basis functions of A   symmetry.
 There are   233 symmetry adapted basis functions of A   symmetry.
   233 basis functions,   425 primitive gaussians,   247 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0060957676 Hartrees.
 Nuclear repulsion after empirical dispersion term =      262.3815335850 Hartrees.
 Leave Link  301 at Thu Jul  8 21:40:57 2021, MaxMem= 10737418240 cpu:              33.8 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   233 RedAO= T EigKep=  1.52D-05  NBF=   233
 NBsUse=   233 1.00D-06 EigRej= -1.00D+00 NBFU=   233
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   247   247   247   247   247 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Thu Jul  8 21:40:58 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:40:58 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:40:59 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737289815 LenY= 10737228365
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -271.338648690624    
 DIIS: error= 2.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -271.338648690624     IErMin= 1 ErrMin= 2.24D-03
 ErrMax= 2.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-03 BMatP= 2.99D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.32D-02 MaxDP=5.16D-01              OVMax= 1.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.23D-02    CP:  1.17D+00
 E= -271.341254267678     Delta-E=       -0.002605577054 Rises=F Damp=F
 DIIS: error= 2.90D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -271.341254267678     IErMin= 2 ErrMin= 2.90D-04
 ErrMax= 2.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-05 BMatP= 2.99D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.90D-03
 Coeff-Com: -0.696D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.694D-01 0.107D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.69D-03 MaxDP=7.76D-02 DE=-2.61D-03 OVMax= 2.78D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.26D-04    CP:  1.19D+00  1.12D+00
 E= -271.341336782463     Delta-E=       -0.000082514785 Rises=F Damp=F
 DIIS: error= 1.43D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -271.341336782463     IErMin= 3 ErrMin= 1.43D-04
 ErrMax= 1.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-06 BMatP= 3.87D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.43D-03
 Coeff-Com: -0.131D-01 0.104D+00 0.909D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.131D-01 0.104D+00 0.909D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.22D-04 MaxDP=4.63D-03 DE=-8.25D-05 OVMax= 8.93D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.00D-05    CP:  1.19D+00  1.13D+00  1.11D+00
 E= -271.341341625665     Delta-E=       -0.000004843202 Rises=F Damp=F
 DIIS: error= 7.18D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -271.341341625665     IErMin= 4 ErrMin= 7.18D-05
 ErrMax= 7.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-06 BMatP= 3.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-02-0.832D-01 0.378D+00 0.703D+00
 Coeff:      0.230D-02-0.832D-01 0.378D+00 0.703D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=2.85D-05 MaxDP=1.44D-03 DE=-4.84D-06 OVMax= 4.16D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.96D-05    CP:  1.19D+00  1.13D+00  1.14D+00  1.01D+00
 E= -271.341343245874     Delta-E=       -0.000001620208 Rises=F Damp=F
 DIIS: error= 1.88D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -271.341343245874     IErMin= 5 ErrMin= 1.88D-05
 ErrMax= 1.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-07 BMatP= 1.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-02-0.515D-01 0.838D-01 0.302D+00 0.663D+00
 Coeff:      0.256D-02-0.515D-01 0.838D-01 0.302D+00 0.663D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=8.15D-06 MaxDP=2.54D-04 DE=-1.62D-06 OVMax= 1.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.22D-06    CP:  1.19D+00  1.13D+00  1.15D+00  1.08D+00  1.05D+00
 E= -271.341343415471     Delta-E=       -0.000000169597 Rises=F Damp=F
 DIIS: error= 5.42D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -271.341343415471     IErMin= 6 ErrMin= 5.42D-06
 ErrMax= 5.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.52D-09 BMatP= 1.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.167D-03 0.145D-02-0.334D-01-0.265D-01 0.173D+00 0.885D+00
 Coeff:      0.167D-03 0.145D-02-0.334D-01-0.265D-01 0.173D+00 0.885D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=4.76D-06 MaxDP=1.76D-04 DE=-1.70D-07 OVMax= 6.20D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.36D-06    CP:  1.19D+00  1.13D+00  1.14D+00  1.09D+00  1.10D+00
                    CP:  1.07D+00
 E= -271.341343432641     Delta-E=       -0.000000017170 Rises=F Damp=F
 DIIS: error= 1.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -271.341343432641     IErMin= 7 ErrMin= 1.10D-06
 ErrMax= 1.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.59D-10 BMatP= 9.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-03 0.424D-02-0.160D-01-0.291D-01-0.328D-02 0.242D+00
 Coeff-Com:  0.803D+00
 Coeff:     -0.138D-03 0.424D-02-0.160D-01-0.291D-01-0.328D-02 0.242D+00
 Coeff:      0.803D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=3.28D-05 DE=-1.72D-08 OVMax= 1.44D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.12D-07    CP:  1.19D+00  1.13D+00  1.14D+00  1.09D+00  1.11D+00
                    CP:  1.12D+00  1.15D+00
 E= -271.341343433981     Delta-E=       -0.000000001340 Rises=F Damp=F
 DIIS: error= 3.65D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -271.341343433981     IErMin= 8 ErrMin= 3.65D-07
 ErrMax= 3.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.44D-11 BMatP= 7.59D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.473D-04 0.777D-03-0.394D-03-0.388D-02-0.204D-01-0.454D-01
 Coeff-Com:  0.224D+00 0.845D+00
 Coeff:     -0.473D-04 0.777D-03-0.394D-03-0.388D-02-0.204D-01-0.454D-01
 Coeff:      0.224D+00 0.845D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=2.61D-07 MaxDP=7.67D-06 DE=-1.34D-09 OVMax= 5.18D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.60D-07    CP:  1.19D+00  1.13D+00  1.14D+00  1.09D+00  1.11D+00
                    CP:  1.13D+00  1.22D+00  9.85D-01
 E= -271.341343434137     Delta-E=       -0.000000000156 Rises=F Damp=F
 DIIS: error= 8.56D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -271.341343434137     IErMin= 9 ErrMin= 8.56D-08
 ErrMax= 8.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-12 BMatP= 8.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.824D-05-0.256D-03 0.967D-03 0.188D-02 0.104D-02-0.156D-01
 Coeff-Com: -0.450D-01-0.424D-01 0.110D+01
 Coeff:      0.824D-05-0.256D-03 0.967D-03 0.188D-02 0.104D-02-0.156D-01
 Coeff:     -0.450D-01-0.424D-01 0.110D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=4.02D-06 DE=-1.56D-10 OVMax= 1.43D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.34D-08    CP:  1.19D+00  1.13D+00  1.14D+00  1.09D+00  1.11D+00
                    CP:  1.13D+00  1.23D+00  1.02D+00  1.19D+00
 E= -271.341343434134     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 2.22D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -271.341343434137     IErMin=10 ErrMin= 2.22D-08
 ErrMax= 2.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-13 BMatP= 1.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-05-0.374D-04 0.411D-04 0.206D-03 0.921D-03 0.974D-03
 Coeff-Com: -0.830D-02-0.415D-01 0.449D-01 0.100D+01
 Coeff:      0.208D-05-0.374D-04 0.411D-04 0.206D-03 0.921D-03 0.974D-03
 Coeff:     -0.830D-02-0.415D-01 0.449D-01 0.100D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.62D-08 MaxDP=3.69D-07 DE= 3.41D-12 OVMax= 3.63D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.39D-09    CP:  1.19D+00  1.13D+00  1.14D+00  1.09D+00  1.11D+00
                    CP:  1.13D+00  1.23D+00  1.02D+00  1.22D+00  1.17D+00
 E= -271.341343434138     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 5.82D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -271.341343434138     IErMin=11 ErrMin= 5.82D-09
 ErrMax= 5.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.68D-15 BMatP= 1.00D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.741D-06 0.222D-04-0.795D-04-0.163D-03-0.662D-04 0.117D-02
 Coeff-Com:  0.435D-02 0.258D-02-0.819D-01-0.441D-01 0.112D+01
 Coeff:     -0.741D-06 0.222D-04-0.795D-04-0.163D-03-0.662D-04 0.117D-02
 Coeff:      0.435D-02 0.258D-02-0.819D-01-0.441D-01 0.112D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=6.16D-09 MaxDP=2.25D-07 DE=-4.09D-12 OVMax= 1.32D-07

 SCF Done:  E(RwB97XD) =  -271.341343434     A.U. after   11 cycles
            NFock= 11  Conv=0.62D-08     -V/T= 2.0062
 KE= 2.696731475364D+02 PE=-1.152842366498D+03 EE= 3.494463419422D+02
 Leave Link  502 at Thu Jul  8 21:41:54 2021, MaxMem= 10737418240 cpu:             875.7 elap:              55.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   233
 NBasis=   233 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    233 NOA=    25 NOB=    25 NVA=   208 NVB=   208

 **** Warning!!: The largest alpha MO coefficient is  0.83400278D+02

 Leave Link  801 at Thu Jul  8 21:41:55 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4632 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.67D-14 8.33D-09 XBig12= 1.00D+00 3.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.67D-14 8.33D-09 XBig12= 1.60D-01 6.49D-02.
     11 vectors produced by pass  2 Test12= 8.67D-14 8.33D-09 XBig12= 2.94D-02 3.90D-02.
     11 vectors produced by pass  3 Test12= 8.67D-14 8.33D-09 XBig12= 2.70D-03 9.60D-03.
     11 vectors produced by pass  4 Test12= 8.67D-14 8.33D-09 XBig12= 1.17D-04 1.84D-03.
     11 vectors produced by pass  5 Test12= 8.67D-14 8.33D-09 XBig12= 3.88D-06 3.22D-04.
     11 vectors produced by pass  6 Test12= 8.67D-14 8.33D-09 XBig12= 1.11D-07 5.14D-05.
     11 vectors produced by pass  7 Test12= 8.67D-14 8.33D-09 XBig12= 2.06D-09 7.90D-06.
     11 vectors produced by pass  8 Test12= 8.67D-14 8.33D-09 XBig12= 2.95D-11 8.59D-07.
      8 vectors produced by pass  9 Test12= 8.67D-14 8.33D-09 XBig12= 4.33D-13 9.49D-08.
      3 vectors produced by pass 10 Test12= 8.67D-14 8.33D-09 XBig12= 7.32D-15 1.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.118889D+03
      2 -0.139954D-05  0.830115D+02
      3 -0.503784D+01 -0.169164D-04  0.754585D+02
 Isotropic polarizability for W=    0.085645       92.45 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.110642D-02 -0.780291D+02 -0.889635D-03
      2  -0.157065D-02  0.262806D+02  0.226147D-03
      3   0.464232D-03  0.517485D+02  0.663488D-03
      4  -0.112120D+03 -0.143109D-02  0.599917D+02
      5  -0.958210D-03  0.608270D+02  0.119575D-02
      6   0.407319D+02 -0.142772D-03  0.399236D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.577579D+01 -0.985536D-04  0.492459D+01
      2   0.319174D-04  0.191992D+02  0.245033D-03
      3   0.350793D+02  0.401414D-03 -0.149712D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.835314D+00 -0.368919D-03  0.477562D+02
      2   0.685747D-04  0.192598D+02  0.731520D-03
      3  -0.340905D+02 -0.139563D-03 -0.200951D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.232280D+01 -0.208840D-04 -0.829276D+01
      2  -0.208840D-04 -0.555857D+01 -0.876173D-04
      3  -0.829276D+01 -0.876173D-04  0.168792D+01
 OR G Eigenvalues:    -6.2935    -5.5586    10.3042  Iso=     0.5159
 Eigenvectors:
   (1)   0.693451   0.000106   0.720504
   (2)  -0.000075   1.000000  -0.000074
   (3)   0.720504   0.000003  -0.693451
 w=    0.085645 a.u., Optical Rotation Beta=      0.5159 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      265.57 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   27261 ScalPx= 3.92D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.44D-14 2.78D-09 XBig12= 1.00D+00 4.44D-01.
     30 vectors produced by pass  1 Test12= 1.44D-14 2.78D-09 XBig12= 2.92D-02 5.35D-02.
     30 vectors produced by pass  2 Test12= 1.44D-14 2.78D-09 XBig12= 1.31D-03 6.23D-03.
     30 vectors produced by pass  3 Test12= 1.44D-14 2.78D-09 XBig12= 1.18D-05 6.75D-04.
     30 vectors produced by pass  4 Test12= 1.44D-14 2.78D-09 XBig12= 1.58D-07 7.52D-05.
     30 vectors produced by pass  5 Test12= 1.44D-14 2.78D-09 XBig12= 2.01D-09 7.16D-06.
     30 vectors produced by pass  6 Test12= 1.44D-14 2.78D-09 XBig12= 1.49D-11 4.47D-07.
     30 vectors produced by pass  7 Test12= 1.44D-14 2.78D-09 XBig12= 9.74D-14 4.11D-08.
      1 vectors produced by pass  8 Test12= 1.44D-14 2.78D-09 XBig12= 1.11D-15 4.41D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 1.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 1.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.63D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118889D+03 -0.139954D-05 -0.503784D+01
      2  -0.139954D-05  0.830115D+02 -0.169164D-04
      3  -0.503784D+01 -0.169164D-04  0.754585D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.577579D+01 -0.985536D-04  0.492459D+01
      2   0.319174D-04  0.191992D+02  0.245033D-03
      3   0.350793D+02  0.401414D-03 -0.149712D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.110642D-02 -0.780291D+02 -0.889635D-03
      2  -0.157065D-02  0.262806D+02  0.226147D-03
      3   0.464232D-03  0.517485D+02  0.663488D-03
      4  -0.112120D+03 -0.143109D-02  0.599917D+02
      5  -0.958210D-03  0.608270D+02  0.119575D-02
      6   0.407319D+02 -0.142772D-03  0.399236D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.109919D+02  0.462171D+01  0.606289D+01 -0.262834D+01 -0.125269D+01
      2   0.462171D+01 -0.250441D+01  0.300353D+00 -0.125269D+01 -0.411258D+01
      3   0.606289D+01  0.300353D+00  0.197788D+01  0.160985D+00  0.106001D+00
                 6             7             8             9            10 
      1   0.160985D+00  0.359178D+01  0.304099D+01  0.255904D+01  0.659916D-03
      2   0.106001D+00  0.304099D+01  0.204646D+01  0.708136D+00 -0.111111D+02
      3   0.254608D+01  0.255904D+01  0.708136D+00 -0.442539D+01 -0.119744D-03
                11            12            13            14            15 
      1  -0.111111D+02 -0.119744D-03 -0.868482D+01  0.176077D-03 -0.522387D+01
      2   0.526801D-04 -0.936889D+00  0.176077D-03 -0.168509D+01  0.162774D-04
      3  -0.936889D+00  0.102401D-04 -0.522387D+01  0.162774D-04 -0.156780D+01
                16            17            18            19            20 
      1  -0.137728D-03 -0.735180D+01 -0.143750D-03 -0.129271D+02  0.810341D+01
      2  -0.735180D+01  0.121858D-05 -0.152580D+01  0.810341D+01 -0.644434D+01
      3  -0.143750D-03 -0.152580D+01 -0.116338D-03  0.376611D+01 -0.773909D+00
                21            22            23            24            25 
      1   0.376611D+01  0.151798D+02 -0.560710D+01 -0.416749D+00  0.121003D+02
      2  -0.773909D+00 -0.560710D+01  0.731040D+01 -0.143064D+00 -0.716534D+00
      3  -0.381046D+01 -0.416749D+00 -0.143064D+00  0.138588D+01 -0.165386D+01
                26            27            28            29            30 
      1  -0.716534D+00 -0.165386D+01  0.728844D+01 -0.467074D+01 -0.760541D+01
      2   0.870660D+00  0.520045D+00 -0.467074D+01  0.522836D+01  0.111152D+01
      3   0.520045D+00  0.265337D+01 -0.760541D+01  0.111152D+01  0.466193D+01
                31            32            33            34            35 
      1  -0.838807D+01  0.884013D+01 -0.889594D+00 -0.126748D+02  0.192938D+00
      2   0.884013D+01 -0.977244D+01  0.226088D+01  0.192938D+00  0.262743D+01
      3  -0.889594D+00  0.226088D+01  0.112898D+01  0.609369D+01  0.697592D+00
                36            37            38            39            40 
      1   0.609369D+01 -0.109921D+02  0.462183D+01 -0.606275D+01 -0.262831D+01
      2   0.697592D+00  0.462183D+01  0.250440D+01  0.300485D+00  0.125260D+01
      3  -0.271132D+01 -0.606275D+01  0.300485D+00 -0.197790D+01  0.161092D+00
                41            42            43            44            45 
      1   0.125260D+01  0.161092D+00 -0.359172D+01  0.304112D+01 -0.255902D+01
      2  -0.411261D+01 -0.106081D+00  0.304112D+01 -0.204646D+01  0.707802D+00
      3  -0.106081D+00  0.254586D+01 -0.255902D+01  0.707802D+00  0.442574D+01
                46            47            48            49            50 
      1   0.129260D+02  0.810334D+01 -0.376597D+01  0.151798D+02  0.560709D+01
      2   0.810334D+01  0.644432D+01 -0.773916D+00  0.560709D+01  0.731056D+01
      3  -0.376597D+01 -0.773916D+00  0.381040D+01 -0.416769D+00  0.143016D+00
                51            52            53            54            55 
      1  -0.416769D+00 -0.121002D+02 -0.716538D+00  0.165394D+01 -0.728789D+01
      2   0.143016D+00 -0.716538D+00 -0.870712D+00  0.520214D+00 -0.467072D+01
      3   0.138605D+01  0.165394D+01  0.520214D+00 -0.265353D+01  0.760532D+01
                56            57            58            59            60 
      1  -0.467072D+01  0.760532D+01 -0.838797D+01 -0.884007D+01 -0.889497D+00
      2  -0.522838D+01  0.111165D+01 -0.884007D+01 -0.977240D+01 -0.226100D+01
      3   0.111165D+01 -0.466199D+01 -0.889497D+00 -0.226100D+01  0.112880D+01
                61            62            63            64            65 
      1   0.126747D+02  0.193045D+00 -0.609381D+01 -0.923543D+00  0.154467D+01
      2   0.193045D+00 -0.262753D+01  0.697382D+00  0.154467D+01 -0.313103D+01
      3  -0.609381D+01  0.697382D+00  0.271150D+01  0.978202D-01  0.812716D+00
                66            67            68            69            70 
      1   0.978202D-01  0.374572D+01 -0.313701D+01  0.825579D+00  0.161978D+01
      2   0.812716D+00 -0.313701D+01  0.107406D+02 -0.229264D+01 -0.363412D+00
      3  -0.771557D+00  0.825579D+00 -0.229264D+01  0.167594D+01 -0.398145D+00
                71            72            73            74            75 
      1  -0.363412D+00 -0.398145D+00  0.109846D+01 -0.984217D-01 -0.363577D+00
      2   0.808078D+00  0.119681D+01 -0.984217D-01 -0.406971D+00 -0.113612D+00
      3   0.119681D+01 -0.117099D+01 -0.363577D+00 -0.113612D+00  0.114962D+01
                76            77            78            79            80 
      1  -0.657519D+00 -0.512546D+00  0.233182D-01 -0.204224D+01 -0.322743D+00
      2  -0.512546D+00  0.666687D+00 -0.112029D+01 -0.322743D+00 -0.182302D+01
      3   0.233182D-01 -0.112029D+01 -0.182152D+01 -0.747199D+00  0.181590D+01
                81            82            83            84            85 
      1  -0.747199D+00  0.923513D+00  0.154464D+01 -0.977974D-01  0.374574D+01
      2   0.181590D+01  0.154464D+01  0.313096D+01  0.812762D+00  0.313698D+01
      3  -0.112505D+02 -0.977974D-01  0.812762D+00  0.771589D+00  0.825634D+00
                86            87            88            89            90 
      1   0.313698D+01  0.825634D+00 -0.161969D+01 -0.363344D+00  0.398154D+00
      2   0.107405D+02  0.229281D+01 -0.363344D+00 -0.807893D+00  0.119681D+01
      3   0.229281D+01  0.167601D+01  0.398154D+00  0.119681D+01  0.117106D+01
                91            92            93            94            95 
      1  -0.109845D+01 -0.984431D-01  0.363552D+00 -0.657553D+00  0.512553D+00
      2  -0.984431D-01  0.406987D+00 -0.113564D+00  0.512553D+00  0.666561D+00
      3   0.363552D+00 -0.113564D+00 -0.114961D+01  0.233105D-01  0.112029D+01
                96            97            98            99           100 
      1   0.233105D-01  0.204223D+01 -0.322748D+00  0.747175D+00  0.211035D+01
      2   0.112029D+01 -0.322748D+00  0.182293D+01  0.181563D+01 -0.119703D+01
      3  -0.182178D+01  0.747175D+00  0.181563D+01  0.112504D+02 -0.291031D+00
               101           102           103           104           105 
      1  -0.119703D+01 -0.291031D+00 -0.200829D+01  0.135089D+01  0.161808D+01
      2  -0.357887D+00 -0.700009D+00  0.135089D+01 -0.364370D+01 -0.327215D+01
      3  -0.700009D+00 -0.124261D+01  0.161808D+01 -0.327215D+01 -0.374564D+01
               106           107           108           109           110 
      1  -0.963986D+00  0.152374D+01  0.105856D+01  0.133400D+02 -0.274804D+01
      2   0.152374D+01 -0.443582D+01 -0.364054D+01 -0.274804D+01  0.169426D+01
      3   0.105856D+01 -0.364054D+01 -0.446118D+01  0.152599D+01 -0.168734D+00
               111           112           113           114           115 
      1   0.152599D+01 -0.900876D+00  0.116210D+01  0.129025D+01  0.495182D+01
      2  -0.168734D+00  0.116210D+01 -0.346248D+00 -0.548191D+00  0.320829D+00
      3   0.113528D+01  0.129025D+01 -0.548191D+00 -0.385642D+00  0.140059D+01
               116           117           118           119           120 
      1   0.320829D+00  0.140059D+01 -0.133401D+02 -0.274813D+01 -0.152603D+01
      2  -0.568455D+00 -0.534779D+00 -0.274813D+01 -0.169429D+01 -0.168768D+00
      3  -0.534779D+00  0.512331D+00 -0.152603D+01 -0.168768D+00 -0.113526D+01
               121           122           123           124           125 
      1  -0.901019D+00 -0.116219D+01  0.129023D+01 -0.495184D+01  0.320781D+00
      2  -0.116219D+01 -0.346330D+00  0.548210D+00  0.320781D+00  0.568466D+00
      3   0.129023D+01  0.548210D+00 -0.385650D+00 -0.140054D+01 -0.534763D+00
               126           127           128           129           130 
      1  -0.140054D+01 -0.211029D+01 -0.119701D+01  0.291000D+00 -0.200828D+01
      2  -0.534763D+00 -0.119701D+01  0.357981D+00 -0.700086D+00 -0.135091D+01
      3  -0.512350D+00  0.291000D+00 -0.700086D+00  0.124267D+01  0.161801D+01
               131           132           133           134           135 
      1  -0.135091D+01  0.161801D+01  0.963952D+00  0.152368D+01 -0.105843D+01
      2  -0.364388D+01  0.327219D+01  0.152368D+01  0.443587D+01 -0.364046D+01
      3   0.327219D+01 -0.374557D+01 -0.105843D+01 -0.364046D+01  0.446095D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.152799D+01 -0.390186D+01 -0.402105D+01 -0.403563D+00 -0.111392D+02
      2   0.969515D+00 -0.459767D+00  0.229154D+01 -0.518816D+01  0.674829D+01
      3   0.419120D+01  0.423081D+01  0.554146D+01  0.640026D+01  0.258231D+01
                 6             7             8             9            10 
      1  -0.927381D+01 -0.276214D+01  0.855833D+01  0.121525D+02 -0.169078D-03
      2   0.547886D+01 -0.282620D+01 -0.112853D+01 -0.891785D+01  0.705676D+01
      3   0.602711D+00  0.425390D+01 -0.139477D+01 -0.838758D+00  0.508765D-03
                11            12            13            14            15 
      1   0.395937D+00  0.784626D-05 -0.107586D+02  0.302543D-04 -0.241112D+01
      2  -0.874996D-05  0.113244D+02 -0.214863D-04 -0.363040D+01 -0.602164D-04
      3  -0.189825D+02 -0.170332D-04  0.192509D+02  0.762343D-04 -0.101425D+01
                16            17            18            19            20 
      1  -0.133070D-03  0.745948D+00  0.133688D-04 -0.403044D+00  0.364580D+01
      2  -0.232935D+02 -0.142481D-03  0.221600D+01  0.195838D+01  0.252037D+01
      3  -0.117297D-04 -0.446554D+01 -0.195435D-04  0.507313D+00  0.882856D+01
                21            22            23            24            25 
      1  -0.651851D+01  0.316400D+01 -0.891166D+01 -0.117965D+01 -0.105352D+02
      2  -0.621031D+01  0.973975D-01 -0.376292D+01  0.436678D+01 -0.179185D+02
      3  -0.662029D+01  0.225290D+02 -0.204420D+02  0.236927D+01  0.612008D-01
                26            27            28            29            30 
      1   0.533937D+01  0.576842D+01 -0.646896D+01 -0.362911D+01  0.612897D+01
      2   0.281070D+01  0.592835D+01 -0.171483D+02  0.527300D+01  0.120004D+02
      3   0.272482D+00  0.555741D+01  0.111672D+02 -0.153064D+02  0.301184D+00
                31            32            33            34            35 
      1  -0.265117D+01  0.358399D+01 -0.351605D+01  0.227435D+01  0.411236D+01
      2  -0.286069D+01  0.924861D+01  0.291019D+01  0.247360D+01  0.693352D+01
      3  -0.111402D+02  0.172918D+02 -0.875612D+01  0.799950D+01 -0.746174D+01
                36            37            38            39            40 
      1   0.106703D+01 -0.152802D+01 -0.390204D+01  0.402096D+01 -0.403730D+00
      2  -0.436711D+01  0.969447D+00  0.459551D+00  0.229172D+01  0.518786D+01
      3  -0.852818D+01 -0.419124D+01  0.423107D+01 -0.554127D+01  0.640047D+01
                41            42            43            44            45 
      1   0.111392D+02 -0.927320D+01  0.276204D+01  0.855900D+01 -0.121527D+02
      2   0.674836D+01 -0.547841D+01 -0.282578D+01  0.112928D+01 -0.891835D+01
      3  -0.258220D+01  0.602559D+00 -0.425371D+01 -0.139475D+01  0.838393D+00
                46            47            48            49            50 
      1   0.403320D+00  0.364560D+01  0.651856D+01  0.316386D+01  0.891168D+01
      2   0.195858D+01 -0.252007D+01 -0.621045D+01 -0.969821D-01 -0.376276D+01
      3  -0.507938D+00  0.882807D+01  0.662019D+01  0.225287D+02  0.204417D+02
                51            52            53            54            55 
      1  -0.117933D+01  0.105353D+02  0.533964D+01 -0.576838D+01  0.646890D+01
      2  -0.436716D+01 -0.179189D+02 -0.281111D+01  0.592869D+01 -0.171483D+02
      3   0.236958D+01 -0.612299D-01  0.272887D+00 -0.555720D+01 -0.111671D+02
                56            57            58            59            60 
      1  -0.362886D+01 -0.612912D+01 -0.265100D+01 -0.358405D+01 -0.351614D+01
      2  -0.527353D+01  0.120007D+02  0.286024D+01  0.924867D+01 -0.290978D+01
      3  -0.153065D+02 -0.300869D+00 -0.111400D+02 -0.172913D+02 -0.875655D+01
                61            62            63            64            65 
      1  -0.227447D+01  0.411238D+01 -0.106688D+01 -0.170046D+01  0.369562D+01
      2   0.247430D+01 -0.693304D+01 -0.436784D+01 -0.278749D+01  0.107484D+01
      3  -0.799938D+01 -0.746226D+01  0.852790D+01  0.188808D+01 -0.344068D+01
                66            67            68            69            70 
      1  -0.499689D+00  0.257521D+01 -0.118644D+02 -0.172279D+01  0.124289D-03
      2   0.143711D+01  0.218598D+01 -0.109871D+01 -0.158378D+01 -0.179739D-01
      3   0.103162D+01  0.285476D+01  0.876033D+01 -0.216737D+01  0.104830D+01
                71            72            73            74            75 
      1  -0.216288D+01  0.303464D+00  0.147478D+01 -0.420510D+00 -0.119580D+01
      2  -0.201470D+01  0.135241D+01  0.286483D+01 -0.520048D+00 -0.541879D+00
      3   0.330002D+00  0.897080D+00 -0.885803D+00 -0.164837D+01  0.137236D+00
                76            77            78            79            80 
      1   0.105377D+00 -0.106418D+00  0.348225D+01  0.507181D+00  0.241989D+01
      2  -0.904954D+00  0.962784D+00  0.290508D+01 -0.418610D+01 -0.272945D+01
      3  -0.554077D+00  0.312910D-01 -0.158300D+01 -0.322332D+01 -0.197637D+01
                81            82            83            84            85 
      1   0.122694D+02  0.170045D+01  0.369555D+01  0.499784D+00  0.257515D+01
      2   0.133324D+02 -0.278741D+01 -0.107478D+01  0.143710D+01 -0.218598D+01
      3   0.362882D+00 -0.188811D+01 -0.344064D+01 -0.103166D+01  0.285479D+01
                86            87            88            89            90 
      1   0.118644D+02 -0.172254D+01 -0.706426D-04 -0.216257D+01 -0.303547D+00
      2  -0.109856D+01  0.158378D+01 -0.180010D-01  0.201459D+01  0.135247D+01
      3  -0.876022D+01 -0.216749D+01 -0.104819D+01  0.329880D+00 -0.897067D+00
                91            92            93            94            95 
      1  -0.147477D+01 -0.420563D+00  0.119578D+01  0.105355D+00  0.106253D+00
      2   0.286477D+01  0.520139D+00 -0.541816D+00  0.905066D+00  0.962776D+00
      3   0.885881D+00 -0.164834D+01 -0.137314D+00 -0.554129D+00 -0.311492D-01
                96            97            98            99           100 
      1   0.348259D+01 -0.507140D+00  0.242025D+01 -0.122692D+02  0.125235D+01
      2  -0.290540D+01 -0.418614D+01  0.272909D+01  0.133322D+02 -0.106810D+01
      3  -0.158305D+01  0.322317D+01 -0.197627D+01 -0.362600D+00  0.193520D+01
               101           102           103           104           105 
      1   0.639449D-01 -0.233043D+01  0.379636D+01 -0.134635D+01 -0.521387D+01
      2  -0.229414D+01 -0.262597D+01  0.886857D+00 -0.770263D+01 -0.920716D+01
      3   0.149559D+01  0.249194D+01 -0.102194D+01  0.861552D+01  0.832754D+01
               106           107           108           109           110 
      1  -0.143560D+01  0.181791D+01 -0.460061D+01  0.317927D+01  0.348326D+00
      2   0.156342D+01 -0.102689D+02 -0.106002D+02  0.104249D+02 -0.291505D+01
      3  -0.178706D+01  0.116554D+02  0.992529D+01 -0.489480D+01 -0.542511D+01
               111           112           113           114           115 
      1   0.117846D+01  0.511312D-01  0.235142D+00 -0.237117D+00  0.173814D+01
      2   0.685274D+01  0.352879D+01 -0.258036D+01 -0.114941D+01  0.283794D+01
      3  -0.882692D+00  0.102728D+01 -0.512557D+00  0.454404D+00 -0.631433D+01
               116           117           118           119           120 
      1   0.298134D+00 -0.190505D+00 -0.317928D+01  0.348300D+00 -0.117849D+01
      2  -0.613059D+00  0.342396D+01  0.104248D+02  0.291515D+01  0.685270D+01
      3   0.807729D+00  0.164814D+01  0.489480D+01 -0.542511D+01  0.882666D+00
               121           122           123           124           125 
      1   0.511756D-01 -0.235095D+00 -0.237156D+00 -0.173809D+01  0.298092D+00
      2  -0.352864D+01 -0.258037D+01  0.114949D+01  0.283771D+01  0.612996D+00
      3   0.102709D+01  0.512334D+00  0.454487D+00  0.631422D+01  0.807819D+00
               126           127           128           129           130 
      1   0.190495D+00 -0.125234D+01  0.638879D-01  0.233057D+01  0.379627D+01
      2   0.342401D+01 -0.106816D+01  0.229432D+01 -0.262609D+01 -0.886767D+00
      3  -0.164813D+01 -0.193525D+01  0.149587D+01 -0.249216D+01 -0.102193D+01
               131           132           133           134           135 
      1   0.134647D+01 -0.521396D+01  0.143569D+01  0.181785D+01  0.460052D+01
      2  -0.770278D+01  0.920699D+01  0.156318D+01  0.102687D+02 -0.105996D+02
      3  -0.861601D+01  0.832770D+01  0.178694D+01  0.116555D+02 -0.992514D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.395856D+01  0.106373D+02  0.661126D+01  0.354487D+01  0.380075D+01
      2  -0.533691D+01 -0.155671D+02 -0.111609D+02 -0.577176D+01 -0.198264D+02
      3   0.929547D+01  0.492983D+01  0.454965D+01  0.222688D+01  0.160256D+02
      4   0.450314D+01 -0.696448D+01  0.258689D+01 -0.154582D+01 -0.214558D+02
      5   0.230191D+02  0.748431D+01  0.126029D+02  0.236955D-02 -0.360041D+01
      6   0.148733D+02 -0.254140D+01  0.203086D+01 -0.340999D+01 -0.333838D+01
                 6             7             8             9            10 
      1  -0.555114D+01 -0.572205D+01 -0.583980D+00  0.177032D+02  0.267881D+02
      2  -0.535865D+01 -0.238306D+01  0.584247D+01  0.122847D+02 -0.501033D+01
      3   0.109098D+02  0.810511D+01 -0.525849D+01 -0.299880D+02 -0.217778D+02
      4  -0.409173D+01  0.946830D+01  0.263465D+01  0.215235D+01 -0.513194D-03
      5   0.256565D+01  0.156237D+02  0.456489D+01 -0.254967D+01 -0.438712D+02
      6   0.463114D+01  0.725030D+01  0.709841D+01  0.205421D+01  0.525535D-03
                11            12            13            14            15 
      1  -0.880564D-04 -0.559397D+00 -0.180425D-03  0.249967D+01 -0.385516D-04
      2   0.123822D-03  0.603559D+01  0.247207D-03  0.402691D+01  0.144051D-03
      3  -0.357656D-04 -0.547619D+01 -0.667817D-04 -0.652659D+01 -0.105500D-03
      4   0.207315D+02  0.142291D-03 -0.674632D+01  0.155519D-04  0.275938D+01
      5   0.194854D-03  0.358782D+01  0.284140D-03 -0.101624D+02  0.360146D-04
      6  -0.758866D+01 -0.351616D-04 -0.117161D+02  0.298781D-03 -0.394477D+01
                16            17            18            19            20 
      1   0.121965D+02  0.112907D-04 -0.587766D+01 -0.312440D+02  0.649150D+01
      2  -0.120425D+01  0.312650D-03  0.644887D+00  0.119687D+02  0.876222D+01
      3  -0.109922D+02 -0.323941D-03  0.523277D+01  0.192753D+02 -0.152537D+02
      4   0.236545D-03  0.154205D+01 -0.200457D-04  0.265329D+02 -0.309515D+02
      5  -0.259858D+02 -0.110256D-03 -0.586109D+01  0.364242D+02 -0.847973D+01
      6  -0.130322D-03 -0.757932D+01 -0.236191D-03 -0.583161D+01  0.136131D+01
                21            22            23            24            25 
      1   0.142654D+02  0.240979D+02 -0.130794D+02 -0.377514D+01  0.184949D+02
      2  -0.128767D+02 -0.956050D+01  0.106823D+01  0.873080D+01 -0.710761D+01
      3  -0.138873D+01 -0.145375D+02  0.120112D+02 -0.495566D+01 -0.113873D+02
      4  -0.448026D+01 -0.221930D+02  0.355750D+02 -0.260660D+01 -0.206911D+02
      5  -0.230558D+02 -0.191932D+02  0.423323D+01  0.142579D+02 -0.653335D+01
      6   0.549585D+01  0.613663D+01 -0.408139D+01  0.406211D+01  0.589289D+01
                26            27            28            29            30 
      1   0.105203D+01 -0.152277D+02  0.459277D+01 -0.663195D+01 -0.294618D+02
      2  -0.790038D+01  0.387435D+01 -0.438044D+01 -0.330648D+01  0.210836D+02
      3   0.684834D+01  0.113533D+02 -0.212326D+00  0.993842D+01  0.837818D+01
      4   0.449451D+01  0.177309D+01 -0.136173D+02  0.281283D+02  0.992215D+01
      5   0.479638D+00  0.100707D+02 -0.486905D+02  0.793312D+01  0.279129D+02
      6   0.651103D+01 -0.661443D+01  0.984052D+01 -0.451379D+01 -0.377363D+01
                31            32            33            34            35 
      1  -0.610390D+01  0.122884D+02  0.100866D+02 -0.473603D+02  0.136689D+02
      2  -0.136753D+02  0.173510D+02 -0.547788D+01  0.335320D+02 -0.116870D+02
      3   0.197792D+02 -0.296394D+02 -0.460875D+01  0.138283D+02 -0.198189D+01
      4   0.482222D+02 -0.468108D+02  0.595173D+01  0.671190D+01  0.759123D+01
      5  -0.900867D+00  0.751392D+01  0.348699D+01  0.387790D+02 -0.515139D+00
      6  -0.141215D+01 -0.106862D+02 -0.245089D+01 -0.653394D+01 -0.159516D+01
                36            37            38            39            40 
      1   0.234973D+02 -0.395853D+01 -0.106372D+02  0.661082D+01 -0.354466D+01
      2  -0.206531D+02 -0.533627D+01  0.155675D+02 -0.111605D+02  0.577206D+01
      3  -0.284421D+01  0.929479D+01 -0.493029D+01  0.454965D+01 -0.222740D+01
      4   0.984939D+00 -0.450340D+01 -0.696451D+01 -0.258727D+01 -0.154557D+01
      5  -0.186338D+02  0.230191D+02 -0.748476D+01  0.126026D+02 -0.281662D-02
      6  -0.782161D+01 -0.148735D+02 -0.254085D+01 -0.203128D+01 -0.340958D+01
                41            42            43            44            45 
      1   0.380080D+01  0.555043D+01 -0.572231D+01  0.583182D+00  0.177041D+02
      2  -0.198266D+02  0.535770D+01 -0.238251D+01 -0.584367D+01  0.122850D+02
      3   0.160258D+02 -0.109081D+02  0.810482D+01  0.526049D+01 -0.299891D+02
      4   0.214563D+02 -0.409136D+01 -0.946889D+01  0.263509D+01 -0.215187D+01
      5  -0.359995D+01 -0.256568D+01  0.156236D+02 -0.456447D+01 -0.255039D+01
      6   0.333738D+01  0.463146D+01 -0.725050D+01  0.709798D+01 -0.205244D+01
                46            47            48            49            50 
      1  -0.312428D+02 -0.649164D+01  0.142653D+02 -0.240980D+02 -0.130796D+02
      2   0.119679D+02 -0.876201D+01 -0.128765D+02  0.956021D+01  0.106797D+01
      3   0.192749D+02  0.152536D+02 -0.138882D+01  0.145378D+02  0.120117D+02
      4  -0.265318D+02 -0.309513D+02  0.448045D+01 -0.221935D+02 -0.355754D+02
      5   0.364234D+02  0.847991D+01 -0.230554D+02  0.191932D+02  0.423338D+01
      6   0.583096D+01  0.136090D+01 -0.549601D+01  0.613653D+01  0.408078D+01
                51            52            53            54            55 
      1   0.377587D+01  0.184945D+02 -0.105156D+01 -0.152282D+02  0.459172D+01
      2  -0.873123D+01 -0.710702D+01  0.790007D+01  0.387423D+01 -0.437985D+01
      3   0.495536D+01 -0.113874D+02 -0.684851D+01  0.113539D+02 -0.211874D+00
      4  -0.260640D+01  0.206912D+02  0.449431D+01 -0.177360D+01  0.136164D+02
      5  -0.142584D+02 -0.653295D+01 -0.480027D+00  0.100709D+02 -0.486899D+02
      6   0.406187D+01 -0.589275D+01  0.651139D+01  0.661449D+01 -0.984049D+01
                56            57            58            59            60 
      1   0.663164D+01 -0.294612D+02  0.610337D+01  0.122887D+02 -0.100875D+02
      2   0.330653D+01  0.210832D+02  0.136753D+02  0.173505D+02  0.547888D+01
      3  -0.993816D+01  0.837805D+01 -0.197787D+02 -0.296392D+02  0.460861D+01
      4   0.281280D+02 -0.992273D+01  0.482215D+02  0.468106D+02  0.595202D+01
      5  -0.793367D+01  0.279129D+02  0.900280D+00  0.751426D+01 -0.348609D+01
      6  -0.451391D+01  0.377414D+01 -0.141186D+01  0.106871D+02 -0.245076D+01
                61            62            63            64            65 
      1  -0.473598D+02 -0.136697D+02  0.234975D+02  0.415377D+01  0.231377D+01
      2   0.335316D+02  0.116880D+02 -0.206534D+02  0.310193D+01 -0.919608D+01
      3   0.138281D+02  0.198171D+01 -0.284405D+01 -0.725571D+01  0.688231D+01
      4  -0.671261D+01  0.759133D+01 -0.983847D+00 -0.101198D+02  0.175748D+02
      5   0.387794D+02  0.516201D+00 -0.186347D+02  0.640538D+00 -0.473408D+01
      6   0.653458D+01 -0.159492D+01  0.782104D+01 -0.148632D+01  0.557383D+01
                66            67            68            69            70 
      1  -0.226011D+01  0.111678D+01 -0.219031D+02  0.592143D+01 -0.161925D+01
      2   0.308715D+01 -0.925955D+01  0.421909D+02 -0.560603D+01  0.482496D-02
      3  -0.827034D+00  0.814278D+01 -0.202878D+02 -0.315394D+00  0.161442D+01
      4  -0.399291D+01  0.166090D+02 -0.351819D+02  0.789930D+01  0.153222D+01
      5   0.450582D+01 -0.506552D+01  0.972020D+01 -0.523933D+01  0.641401D+00
      6  -0.262999D+01  0.727483D+01 -0.178473D+02  0.972864D+01 -0.143800D+01
                71            72            73            74            75 
      1   0.468017D+00 -0.500010D+01 -0.183404D+00  0.295935D+00  0.433178D+01
      2   0.526131D+01  0.786343D+00 -0.192007D+01 -0.625355D+00  0.135199D+01
      3  -0.572933D+01  0.421376D+01  0.210347D+01  0.329420D+00 -0.568377D+01
      4  -0.203033D+01 -0.425908D+01  0.795352D+00  0.360069D+01 -0.179593D+01
      5  -0.375891D+01  0.282803D+01 -0.623581D+00 -0.837937D+00  0.553518D+01
      6   0.517003D+01 -0.271108D+01  0.107725D+01 -0.488844D-01  0.113938D+01
                76            77            78            79            80 
      1   0.232745D+01 -0.438565D+01 -0.420569D+01  0.125258D+01  0.740397D+01
      2  -0.205096D+01  0.328207D+01 -0.638738D+01 -0.239139D+01 -0.484328D+00
      3  -0.276489D+00  0.110358D+01  0.105931D+02  0.113881D+01 -0.691964D+01
      4   0.245272D+01 -0.250890D+01  0.317969D+01  0.340703D-01  0.453488D+01
      5   0.212970D+01  0.297608D+01  0.269837D+01  0.668039D+01 -0.388441D+01
      6   0.157949D+01 -0.123123D+01  0.546677D+01 -0.868394D+00  0.817906D+01
                81            82            83            84            85 
      1  -0.326866D+02  0.415373D+01 -0.231378D+01 -0.226019D+01 -0.111674D+01
      2  -0.224240D+02  0.310183D+01  0.919571D+01  0.308725D+01  0.925912D+01
      3   0.551106D+02 -0.725556D+01 -0.688193D+01 -0.827056D+00 -0.814238D+01
      4  -0.320283D+01  0.101196D+02  0.175744D+02  0.399314D+01  0.166088D+02
      5   0.202180D+02  0.640683D+00  0.473430D+01  0.450599D+01  0.506589D+01
      6  -0.130531D+02  0.148650D+01  0.557412D+01  0.263020D+01  0.727517D+01
                86            87            88            89            90 
      1  -0.219031D+02 -0.592185D+01 -0.161932D+01 -0.468382D+00 -0.500022D+01
      2   0.421901D+02  0.560653D+01  0.500419D-02 -0.526058D+01  0.786259D+00
      3  -0.202870D+02  0.315317D+00  0.161431D+01  0.572896D+01  0.421396D+01
      4   0.351813D+02  0.789982D+01 -0.153189D+01 -0.202970D+01  0.425910D+01
      5   0.972073D+01  0.523964D+01  0.641450D+00  0.375898D+01  0.282826D+01
      6   0.178485D+02  0.972915D+01  0.143812D+01  0.517010D+01  0.271132D+01
                91            92            93            94            95 
      1  -0.183359D+00 -0.296135D+00  0.433166D+01 -0.232749D+01 -0.438551D+01
      2  -0.191999D+01  0.625332D+00  0.135207D+01  0.205094D+01  0.328182D+01
      3   0.210335D+01 -0.329196D+00 -0.568372D+01  0.276549D+00  0.110369D+01
      4  -0.795380D+00  0.360060D+01  0.179585D+01  0.245272D+01  0.250856D+01
      5  -0.623620D+00  0.837850D+00  0.553515D+01 -0.212987D+01  0.297607D+01
      6  -0.107741D+01 -0.488014D-01 -0.113919D+01  0.157954D+01  0.123085D+01
                96            97            98            99           100 
      1   0.420652D+01  0.125255D+01 -0.740311D+01 -0.326863D+02  0.909410D+01
      2   0.638775D+01 -0.239132D+01  0.484681D+00 -0.224243D+02 -0.241172D+01
      3  -0.105943D+02  0.113877D+01  0.691843D+01  0.551106D+02 -0.668239D+01
      4   0.317969D+01 -0.342171D-01  0.453472D+01  0.320240D+01 -0.684334D+01
      5  -0.269878D+01  0.668024D+01  0.388397D+01  0.202178D+02 -0.102318D+01
      6   0.546679D+01  0.868330D+00  0.817850D+01  0.130513D+02  0.149646D+01
               101           102           103           104           105 
      1  -0.805884D+01 -0.571278D+01 -0.386424D+01 -0.107108D+02 -0.954435D+01
      2   0.368678D+01  0.124992D+01  0.343713D+01  0.101659D+02  0.476098D+01
      3   0.437207D+01  0.446286D+01  0.427111D+00  0.544874D+00  0.478337D+01
      4   0.379330D+01  0.677333D+00  0.101674D+02 -0.143289D+02 -0.123869D+02
      5   0.127142D-01 -0.114754D+01  0.878397D+01 -0.131982D+02 -0.164186D+02
      6   0.282455D+01  0.325197D+01 -0.536426D+01  0.161051D+02  0.159889D+02
               106           107           108           109           110 
      1   0.143219D+01 -0.132350D+02 -0.152707D+02  0.834107D+02 -0.125710D+02
      2  -0.326103D+01  0.118664D+02  0.470010D+01 -0.381463D+02  0.361020D+01
      3   0.182884D+01  0.136857D+01  0.105706D+02 -0.452644D+02  0.896077D+01
      4   0.745190D+01 -0.166986D+02 -0.132859D+02 -0.306835D+02  0.159590D+02
      5   0.675260D+01 -0.138496D+02 -0.169426D+02  0.966992D+01 -0.157041D+01
      6  -0.592371D+01  0.174395D+02  0.183278D+02 -0.675495D+01  0.113829D+01
               111           112           113           114           115 
      1   0.914748D+01 -0.517744D+01  0.506950D+01  0.327951D+01  0.291032D+02
      2  -0.407380D+01  0.130784D+01 -0.903662D+00 -0.119545D+01 -0.161128D+02
      3  -0.507369D+01  0.386961D+01 -0.416583D+01 -0.208406D+01 -0.129904D+02
      4  -0.260101D+01  0.910529D+01 -0.271212D+01 -0.184473D+01 -0.226794D+01
      5   0.958195D+01  0.787714D+01 -0.256434D+01 -0.255975D+01  0.104939D+02
      6  -0.354562D+01 -0.146592D+01  0.216999D+01  0.227462D+01 -0.424363D+01
               116           117           118           119           120 
      1  -0.229827D+01  0.477019D+01  0.834106D+02  0.125713D+02  0.914753D+01
      2   0.122627D+01 -0.404377D+01 -0.381463D+02 -0.361029D+01 -0.407386D+01
      3   0.107200D+01 -0.726425D+00 -0.452644D+02 -0.896105D+01 -0.507367D+01
      4  -0.129789D+01 -0.443495D+01  0.306845D+02  0.159595D+02  0.260121D+01
      5  -0.274508D+01  0.542093D+01  0.967017D+01  0.157059D+01  0.958190D+01
      6   0.249274D+01 -0.387661D+00  0.675509D+01  0.113838D+01  0.354566D+01
               121           122           123           124           125 
      1   0.517806D+01  0.506972D+01 -0.327937D+01  0.291030D+02  0.229854D+01
      2  -0.130797D+01 -0.903603D+00  0.119538D+01 -0.161127D+02 -0.122643D+01
      3  -0.387009D+01 -0.416611D+01  0.208399D+01 -0.129903D+02 -0.107211D+01
      4   0.910602D+01  0.271269D+01 -0.184481D+01  0.226836D+01 -0.129788D+01
      5  -0.787702D+01 -0.256443D+01  0.255981D+01  0.104936D+02  0.274498D+01
      6  -0.146590D+01 -0.217002D+01  0.227463D+01  0.424355D+01  0.249275D+01
               126           127           128           129           130 
      1   0.476999D+01  0.909385D+01  0.805915D+01 -0.571290D+01  0.386419D+01
      2  -0.404362D+01 -0.241155D+01 -0.368707D+01  0.125005D+01 -0.343683D+01
      3  -0.726373D+00 -0.668230D+01 -0.437208D+01  0.446285D+01 -0.427355D+00
      4   0.443491D+01  0.684314D+01  0.379310D+01 -0.677065D+00  0.101675D+02
      5   0.542105D+01 -0.102293D+01 -0.124207D-01 -0.114785D+01 -0.878354D+01
      6   0.387683D+00 -0.149633D+01  0.282491D+01 -0.325229D+01 -0.536423D+01
               131           132           133           134           135 
      1  -0.107114D+02  0.954468D+01  0.143212D+01  0.132354D+02 -0.152706D+02
      2   0.101669D+02 -0.476158D+01 -0.326122D+01 -0.118671D+02  0.470066D+01
      3   0.544518D+00 -0.478310D+01  0.182910D+01 -0.136822D+01  0.105699D+02
      4   0.143294D+02 -0.123869D+02 -0.745154D+01 -0.166984D+02  0.132853D+02
      5  -0.131982D+02  0.164182D+02  0.675193D+01  0.138491D+02 -0.169414D+02
      6  -0.161055D+02  0.159889D+02  0.592330D+01  0.174393D+02 -0.183272D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:50:45 2021, MaxMem= 10737418240 cpu:            8471.4 elap:             530.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.32394 -10.31951 -10.31949 -10.31136 -10.31135
 Alpha  occ. eigenvalues --  -10.29481 -10.29481  -1.00594  -0.92728  -0.82465
 Alpha  occ. eigenvalues --   -0.81534  -0.68567  -0.65942  -0.58760  -0.56756
 Alpha  occ. eigenvalues --   -0.54670  -0.54489  -0.52883  -0.52185  -0.44333
 Alpha  occ. eigenvalues --   -0.40141  -0.39884  -0.36130  -0.33781  -0.33120
 Alpha virt. eigenvalues --    0.03736   0.04425   0.04609   0.04961   0.05640
 Alpha virt. eigenvalues --    0.05924   0.06295   0.07299   0.07437   0.08076
 Alpha virt. eigenvalues --    0.10759   0.11029   0.11482   0.12621   0.13327
 Alpha virt. eigenvalues --    0.13943   0.14049   0.14743   0.15061   0.15681
 Alpha virt. eigenvalues --    0.16756   0.17233   0.17410   0.18127   0.18415
 Alpha virt. eigenvalues --    0.18675   0.19188   0.20102   0.20655   0.20823
 Alpha virt. eigenvalues --    0.21073   0.21964   0.23215   0.24742   0.24832
 Alpha virt. eigenvalues --    0.26334   0.26783   0.27242   0.28146   0.28948
 Alpha virt. eigenvalues --    0.29949   0.30665   0.31425   0.32655   0.34562
 Alpha virt. eigenvalues --    0.34624   0.34640   0.35962   0.37600   0.37867
 Alpha virt. eigenvalues --    0.38943   0.39815   0.40609   0.41428   0.42028
 Alpha virt. eigenvalues --    0.42424   0.43007   0.43243   0.44435   0.45514
 Alpha virt. eigenvalues --    0.45984   0.48436   0.49010   0.49269   0.49643
 Alpha virt. eigenvalues --    0.51181   0.52030   0.52514   0.53245   0.54649
 Alpha virt. eigenvalues --    0.55304   0.55502   0.56333   0.58857   0.59206
 Alpha virt. eigenvalues --    0.59290   0.59774   0.59906   0.60962   0.62314
 Alpha virt. eigenvalues --    0.62410   0.62530   0.64442   0.65143   0.65510
 Alpha virt. eigenvalues --    0.66509   0.67207   0.67288   0.68278   0.69397
 Alpha virt. eigenvalues --    0.70028   0.70501   0.70896   0.71519   0.71844
 Alpha virt. eigenvalues --    0.72694   0.74199   0.75758   0.76518   0.77504
 Alpha virt. eigenvalues --    0.77681   0.79178   0.82335   0.83332   0.83737
 Alpha virt. eigenvalues --    0.84395   0.85316   0.93157   0.95237   0.95417
 Alpha virt. eigenvalues --    0.98619   0.99530   1.00098   1.01313   1.03634
 Alpha virt. eigenvalues --    1.04798   1.06999   1.08034   1.09627   1.10120
 Alpha virt. eigenvalues --    1.11862   1.12482   1.14275   1.14378   1.19581
 Alpha virt. eigenvalues --    1.21114   1.22898   1.26610   1.29454   1.30006
 Alpha virt. eigenvalues --    1.30290   1.34351   1.37646   1.41524   1.42205
 Alpha virt. eigenvalues --    1.42620   1.42947   1.47328   1.49287   1.50831
 Alpha virt. eigenvalues --    1.53606   1.55262   1.56027   1.57427   1.59502
 Alpha virt. eigenvalues --    1.64119   1.64368   1.65880   1.66638   1.69398
 Alpha virt. eigenvalues --    1.71847   1.74912   1.76978   1.79259   1.82157
 Alpha virt. eigenvalues --    1.84844   1.85123   1.85549   1.86342   1.88704
 Alpha virt. eigenvalues --    1.88749   1.89135   1.91236   1.95091   1.96854
 Alpha virt. eigenvalues --    1.98216   1.99493   1.99691   2.01928   2.03065
 Alpha virt. eigenvalues --    2.06106   2.07887   2.07981   2.09508   2.12448
 Alpha virt. eigenvalues --    2.17714   2.18965   2.19523   2.24630   2.26474
 Alpha virt. eigenvalues --    2.27733   2.29362   2.36454   2.38084   2.40406
 Alpha virt. eigenvalues --    2.44328   2.45396   2.45818   2.48917   2.51651
 Alpha virt. eigenvalues --    2.52929   2.59412   2.60665   2.61675   2.63698
 Alpha virt. eigenvalues --    2.70507   2.81648   2.85849   2.86963   2.92490
 Alpha virt. eigenvalues --    2.94706   3.07786   3.11738   3.12958   3.20821
 Alpha virt. eigenvalues --    3.49166   3.50062   3.90552
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.107831  -0.423928   1.090583  -0.742564  -0.755281  -0.746899
     2  C   -0.423928   8.078682  -0.789018  -0.120349  -0.423951  -0.789002
     3  C    1.090583  -0.789018   7.442828  -0.644935  -0.746914  -0.535670
     4  C   -0.742564  -0.120349  -0.644935   6.881249  -0.101629  -0.025765
     5  C   -0.755281  -0.423951  -0.746914  -0.101629   7.107898   1.090584
     6  C   -0.746899  -0.789002  -0.535670  -0.025765   1.090584   7.442817
     7  C   -0.101631  -0.120322  -0.025758   0.048453  -0.742589  -0.644943
     8  H   -0.076368  -0.071312   0.125100   0.003300  -0.029252   0.035929
     9  H    0.084298  -0.065559  -0.011444   0.005717  -0.087903   0.054254
    10  H   -0.029250  -0.071320   0.035929   0.053666  -0.076368   0.125101
    11  H   -0.087889  -0.065558   0.054250   0.013425   0.084295  -0.011449
    12  H    0.236251  -0.277118   0.247528  -0.193015  -0.001790   0.030934
    13  H   -0.254870   0.272909   0.061407  -0.107597   0.023146   0.008671
    14  H    0.023146   0.272907   0.008671   0.004754  -0.254867   0.061409
    15  H   -0.001791  -0.277125   0.030932   0.004883   0.236257   0.247531
               7          8          9         10         11         12
     1  C   -0.101631  -0.076368   0.084298  -0.029250  -0.087889   0.236251
     2  C   -0.120322  -0.071312  -0.065559  -0.071320  -0.065558  -0.277118
     3  C   -0.025758   0.125100  -0.011444   0.035929   0.054250   0.247528
     4  C    0.048453   0.003300   0.005717   0.053666   0.013425  -0.193015
     5  C   -0.742589  -0.029252  -0.087903  -0.076368   0.084295  -0.001790
     6  C   -0.644943   0.035929   0.054254   0.125101  -0.011449   0.030934
     7  C    6.881241   0.053663   0.013428   0.003300   0.005722   0.004882
     8  H    0.053663   1.633688  -0.355767  -0.011032   0.012042   0.000896
     9  H    0.013428  -0.355767   1.709733   0.012042   0.004702   0.000439
    10  H    0.003300  -0.011032   0.012042   1.633697  -0.355769   0.003441
    11  H    0.005722   0.012042   0.004702  -0.355769   1.709733   0.003452
    12  H    0.004882   0.000896   0.000439   0.003441   0.003452   1.883000
    13  H    0.004755   0.002022   0.004181   0.009944   0.011437  -0.449792
    14  H   -0.107600   0.009944   0.011438   0.002022   0.004182   0.001734
    15  H   -0.193022   0.003441   0.003452   0.000896   0.000438  -0.003730
              13         14         15
     1  C   -0.254870   0.023146  -0.001791
     2  C    0.272909   0.272907  -0.277125
     3  C    0.061407   0.008671   0.030932
     4  C   -0.107597   0.004754   0.004883
     5  C    0.023146  -0.254867   0.236257
     6  C    0.008671   0.061409   0.247531
     7  C    0.004755  -0.107600  -0.193022
     8  H    0.002022   0.009944   0.003441
     9  H    0.004181   0.011438   0.003452
    10  H    0.009944   0.002022   0.000896
    11  H    0.011437   0.004182   0.000438
    12  H   -0.449792   0.001734  -0.003730
    13  H    1.896267  -0.000315   0.001734
    14  H   -0.000315   1.896265  -0.449791
    15  H    0.001734  -0.449791   1.883008
 Mulliken charges:
               1
     1  C    0.678363
     2  C    0.870067
     3  C   -0.343489
     4  C    0.920406
     5  C    0.678365
     6  C   -0.343502
     7  C    0.920423
     8  H   -0.336293
     9  H   -0.383011
    10  H   -0.336298
    11  H   -0.383012
    12  H   -0.487111
    13  H   -0.483898
    14  H   -0.483899
    15  H   -0.487112
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.040947
     2  C    0.870067
     3  C   -0.343489
     4  C   -0.050603
     5  C   -0.040938
     6  C   -0.343502
     7  C   -0.050588
 Electronic spatial extent (au):  <R**2>=            789.3433
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4883    Z=             -0.0000  Tot=              0.4883
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.6065   YY=            -41.4052   ZZ=            -41.1119
   XY=             -0.0000   XZ=              0.9941   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2319   YY=             -0.0307   ZZ=              0.2626
   XY=             -0.0000   XZ=              0.9941   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              6.2274  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -4.5818  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.3404
  YYZ=              0.0001  XYZ=              5.2001
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -667.9546 YYYY=           -222.5385 ZZZZ=           -168.5997 XXXY=              0.0001
 XXXZ=              9.3611 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              5.4806
 ZZZY=             -0.0002 XXYY=           -149.9320 XXZZ=           -155.8945 YYZZ=            -65.5580
 XXYZ=              0.0002 YYXZ=             -4.3065 ZZXY=             -0.0002
 N-N= 2.623815335850D+02 E-N=-1.152842366241D+03  KE= 2.696731475364D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:50:46 2021, MaxMem= 10737418240 cpu:               4.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.5158    2.5189       -0.0000   -0.0000
 2     -2.5158   -2.5189        0.0000    0.0000      -17.9272  -17.9388
 3      0.0000    0.0000       21.7090   21.7153       -0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000        0.0000    0.0000
 5     -3.7818   -3.7765       -0.0000   -0.0000        2.5196    2.5189
 6      0.0000    0.0000       -2.5196   -2.5189       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.5568   -7.5568       -0.0000   -0.0000
 2     -0.0000   -0.0000       -0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -7.5568   -7.5568        0.0000    0.0000
 4     -7.5568   -7.5568        0.0000    0.0000      -53.8164  -53.8164
 5      0.0000    0.0000       65.1458   65.1458       -0.0000   -0.0000
 6    -11.3294  -11.3294       -0.0000   -0.0000        7.5568    7.5568
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -9.8835  -10.0757        0.0000    0.0000
 2      9.7986   10.0757       -0.0000   -0.0000       71.8495   71.7552
 3     -0.0000   -0.0000      -86.4786  -86.8611        0.0000    0.0000
 4      0.0000    0.0000        0.0788    0.0000       -0.0000   -0.0000
 5     15.0398   15.1059        0.0000    0.0000       -9.9554  -10.0757
 6     -0.0000   -0.0000        9.9956   10.0757       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       40.2023   40.0039        0.0001    0.0001
 2    -40.3033  -40.0039        0.0006    0.0006      -49.6305  -49.9499
 3     -0.0000   -0.0001      -18.2095  -18.3909       -0.0005   -0.0006
 4     -0.0006   -0.0006       -0.1686    0.0000       -0.0001   -0.0001
 5     68.0669   68.3408        0.0000    0.0001       40.0224   40.0039
 6      0.0006    0.0006      -39.8795  -40.0039       -0.0001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0020   -0.0020      116.4593  116.1120       -0.0008   -0.0008
 2     -0.0026   -0.0026      129.6881  129.7776       -0.0008   -0.0008
 3     -0.0026   -0.0026      115.8797  116.1120       -0.0011   -0.0011
 4    -13.1062  -13.6656        0.0006    0.0006      -36.7008  -36.8489
 5     -0.0003   -0.0003      -42.0337  -41.8608       -0.0007   -0.0006
 6     78.5856   78.7098        0.0002    0.0003       13.8642   13.6656
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     12.7578                 4.4954                 7.9708
  Dep-P Fr= 1--      0.7360                 0.7500                 0.6377
  Dep-U Fr= 1--      0.8479                 0.8571                 0.7788
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0162
 Beta2  Fr= 1--      1.8030                 0.6422                 1.0346
 AlphaG Fr= 1--     -0.0064                -0.0000                 0.0139
 Gamma2 Fr= 1--      2.9900                -2.4903                 0.2861
 Delta2 Fr= 1--     -1.2303                 1.2784                 0.3317
 Raman1 Fr= 1--      51.031                 17.982                 31.883
 ROA1   Fr= 1--     247.666               -198.159                 38.081
 CID1   Fr= 1--       4.853                -11.020                  1.194
 Raman2 Fr= 1--      21.636                  7.706                 12.415
 ROA2   Fr= 1--      81.602                -69.995                  4.213
 CID2   Fr= 1--       3.772                 -9.083                  0.339
 Raman3 Fr= 1--      43.271                 15.413                 24.831
 ROA3   Fr= 1--     247.666               -198.159                 38.081
 CID3   Fr= 1--       5.724                -12.857                  1.534
 RC180  Fr= 1--       0.696                  0.714                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.2177                 4.4301                 1.2627
  Dep-P Fr= 1--      0.7500                 0.6765                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8071                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0058                 0.0000
 Beta2  Fr= 1--      0.1740                 0.5959                 0.1804
 AlphaG Fr= 1--      0.0000                 0.0541                 0.0000
 Gamma2 Fr= 1--     -1.3510                 2.2254                 0.7756
 Delta2 Fr= 1--     -0.6309                -0.1842                 1.4256
 Raman1 Fr= 1--       4.871                 17.720                  5.051
 ROA1   Fr= 1--    -149.885                207.741                120.072
 CID1   Fr= 1--     -30.772                 11.723                 23.773
 Raman2 Fr= 1--       2.088                  7.151                  2.165
 ROA2   Fr= 1--     -27.376                 54.882                  7.209
 CID2   Fr= 1--     -13.114                  7.675                  3.330
 Raman3 Fr= 1--       4.175                 14.302                  4.329
 ROA3   Fr= 1--    -149.885                207.741                120.072
 CID3   Fr= 1--     -35.900                 14.526                 27.735
 RC180  Fr= 1--       0.714                  0.614                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      2.6972                26.8327                 3.4810
  Dep-P Fr= 1--      0.7227                 0.1949                 0.7500
  Dep-U Fr= 1--      0.8390                 0.3262                 0.8571
 Alpha2 Fr= 1--      0.0013                 0.3694                 0.0000
 Beta2  Fr= 1--      0.3772                 1.4586                 0.4973
 AlphaG Fr= 1--      0.0372                -0.4120                -0.0000
 Gamma2 Fr= 1--      0.7513                 0.1624                -3.5989
 Delta2 Fr= 1--     -0.8751                 0.0366                -0.0857
 Raman1 Fr= 1--      10.789                107.331                 13.924
 ROA1   Fr= 1--      44.127                 16.763               -348.236
 CID1   Fr= 1--       4.090                  0.156                -25.010
 Raman2 Fr= 1--       4.526                 17.504                  5.967
 ROA2   Fr= 1--      25.033                  3.605                -85.688
 CID2   Fr= 1--       5.531                  0.206                -14.359
 Raman3 Fr= 1--       9.052                 35.008                 11.935
 ROA3   Fr= 1--      44.127                 16.763               -348.236
 CID3   Fr= 1--       4.875                  0.479                -29.178
 RC180  Fr= 1--       0.678                 -0.348                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      9.1217                18.5680                14.4190
  Dep-P Fr= 1--      0.3878                 0.7500                 0.4500
  Dep-U Fr= 1--      0.5589                 0.8571                 0.6207
 Alpha2 Fr= 1--      0.0705                 0.0000                 0.0884
 Beta2  Fr= 1--      0.8497                 2.6526                 1.4916
 AlphaG Fr= 1--      0.5881                -0.0000                -1.0847
 Gamma2 Fr= 1--     -0.2124                 7.6991                -7.9910
 Delta2 Fr= 1--     -2.1916                -3.0222                 5.4549
 Raman1 Fr= 1--      36.487                 74.272                 57.676
 ROA1   Fr= 1--     -90.527                642.400               -592.579
 CID1   Fr= 1--      -2.481                  8.649                -10.274
 Raman2 Fr= 1--      10.196                 31.831                 17.899
 ROA2   Fr= 1--      12.434                208.955               -235.424
 CID2   Fr= 1--       1.220                  6.565                -13.153
 Raman3 Fr= 1--      20.392                 63.662                 35.798
 ROA3   Fr= 1--     -90.527                642.400               -592.579
 CID3   Fr= 1--      -4.439                 10.091                -16.553
 RC180  Fr= 1--       0.118                  0.714                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      5.1499                 4.0194                14.6395
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7468
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8551
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0008
 Beta2  Fr= 1--      0.7357                 0.5742                 2.0863
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0359
 Gamma2 Fr= 1--      1.0921                 0.8046                 1.8335
 Delta2 Fr= 1--      0.5556                 0.2619                -1.7159
 Raman1 Fr= 1--      20.599                 16.078                 58.558
 ROA1   Fr= 1--     122.626                 85.622                121.108
 CID1   Fr= 1--       5.953                  5.326                  2.068
 Raman2 Fr= 1--       8.828                  6.890                 25.035
 ROA2   Fr= 1--      21.766                 17.216                 57.731
 CID2   Fr= 1--       2.466                  2.498                  2.306
 Raman3 Fr= 1--      17.657                 13.781                 50.071
 ROA3   Fr= 1--     122.626                 85.622                121.108
 CID3   Fr= 1--       6.945                  6.213                  2.419
 RC180  Fr= 1--       0.714                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     52.6252                 1.3502                 2.5424
  Dep-P Fr= 1--      0.0145                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0285                 0.8571                 0.8571
 Alpha2 Fr= 1--      1.1305                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2502                 0.1929                 0.3632
 AlphaG Fr= 1--      0.8727                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.9571                 3.6216                 1.9265
 Delta2 Fr= 1--      1.5816                -1.3942                -0.7126
 Raman1 Fr= 1--     210.501                  5.401                 10.170
 ROA1   Fr= 1--     142.495                303.057                162.137
 CID1   Fr= 1--       0.677                 56.112                 15.943
 Raman2 Fr= 1--       3.003                  2.315                  4.358
 ROA2   Fr= 1--      10.318                 98.072                 51.936
 CID2   Fr= 1--       3.436                 42.369                 11.916
 Raman3 Fr= 1--       6.006                  4.629                  8.717
 ROA3   Fr= 1--     142.495                303.057                162.137
 CID3   Fr= 1--      23.726                 65.464                 18.601
 RC180  Fr= 1--      -0.943                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.1590                 9.0273                 0.1122
  Dep-P Fr= 1--      0.2621                 0.5689                 0.7500
  Dep-U Fr= 1--      0.4153                 0.7252                 0.8571
 Alpha2 Fr= 1--      0.0018                 0.0309                 0.0000
 Beta2  Fr= 1--      0.0110                 1.0911                 0.0160
 AlphaG Fr= 1--     -0.0807                 0.3450                 0.0000
 Gamma2 Fr= 1--      0.6301                 1.5313                 1.0350
 Delta2 Fr= 1--     -0.0150                 3.8487                 0.2292
 Raman1 Fr= 1--       0.636                 36.109                  0.449
 ROA1   Fr= 1--      60.005                270.163                106.700
 CID1   Fr= 1--      94.331                  7.482                237.668
 Raman2 Fr= 1--       0.132                 13.094                  0.192
 ROA2   Fr= 1--      15.242                  5.962                 23.007
 CID2   Fr= 1--     115.393                  0.455                119.579
 Raman3 Fr= 1--       0.264                 26.187                  0.385
 ROA3   Fr= 1--      60.005                270.163                106.700
 CID3   Fr= 1--     227.142                 10.317                277.280
 RC180  Fr= 1--      -0.169                  0.450                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      1.1309                 0.8679                 3.2199
  Dep-P Fr= 1--      0.2582                 0.7500                 0.1602
  Dep-U Fr= 1--      0.4105                 0.8571                 0.2761
 Alpha2 Fr= 1--      0.0131                 0.0000                 0.0485
 Beta2  Fr= 1--      0.0774                 0.1240                 0.1482
 AlphaG Fr= 1--      0.1961                 0.0000                 0.3776
 Gamma2 Fr= 1--     -1.4039                -0.8843                -1.6588
 Delta2 Fr= 1--      0.7124                -0.3843                -0.5889
 Raman1 Fr= 1--       4.524                  3.472                 12.880
 ROA1   Fr= 1--    -111.978                -97.187               -178.093
 CID1   Fr= 1--     -24.754                -27.996                -13.827
 Raman2 Fr= 1--       0.928                  1.488                  1.778
 ROA2   Fr= 1--     -39.393                -18.148                -35.101
 CID2   Fr= 1--     -42.432                -12.198                -19.742
 Raman3 Fr= 1--       1.857                  2.976                  3.556
 ROA3   Fr= 1--    -111.978                -97.187               -178.093
 CID3   Fr= 1--     -60.308                -32.661                -50.083
 RC180  Fr= 1--      -0.179                  0.714                 -0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      6.4006                28.4599                11.5688
  Dep-P Fr= 1--      0.7500                 0.5246                 0.7500
  Dep-U Fr= 1--      0.8571                 0.6882                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1247                 0.0000
 Beta2  Fr= 1--      0.9144                 3.2642                 1.6527
 AlphaG Fr= 1--     -0.0000                -0.0901                -0.0000
 Gamma2 Fr= 1--     -1.6739                -8.3697                 4.9982
 Delta2 Fr= 1--     -2.6291                 2.6035                 0.3598
 Raman1 Fr= 1--      25.602                113.840                 46.275
 ROA1   Fr= 1--    -244.829               -720.179                491.344
 CID1   Fr= 1--      -9.563                 -6.326                 10.618
 Raman2 Fr= 1--      10.972                 39.171                 19.832
 ROA2   Fr= 1--     -19.141               -221.701                117.080
 CID2   Fr= 1--      -1.744                 -5.660                  5.904
 Raman3 Fr= 1--      21.945                 78.342                 39.665
 ROA3   Fr= 1--    -244.829               -720.179                491.344
 CID3   Fr= 1--     -11.157                 -9.193                 12.387
 RC180  Fr= 1--       0.714                  0.376                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--      8.9864                16.8724               224.7584
  Dep-P Fr= 1--      0.1114                 0.7500                 0.1077
  Dep-U Fr= 1--      0.2005                 0.8571                 0.1944
 Alpha2 Fr= 1--      0.1530                 0.0000                 3.8617
 Beta2  Fr= 1--      0.3004                 2.4103                 7.2829
 AlphaG Fr= 1--      0.0730                -0.0000                 1.5708
 Gamma2 Fr= 1--      0.4765                -1.1982               -28.2993
 Delta2 Fr= 1--      0.5737                -5.0601                 8.2679
 Raman1 Fr= 1--      35.946                 67.490                899.033
 ROA1   Fr= 1--      64.102               -276.954              -2452.161
 CID1   Fr= 1--       1.783                 -4.104                 -2.728
 Raman2 Fr= 1--       3.604                 28.924                 87.395
 ROA2   Fr= 1--       6.846                 11.723               -745.327
 CID2   Fr= 1--       1.900                  0.405                 -8.528
 Raman3 Fr= 1--       7.208                 57.848                174.790
 ROA3   Fr= 1--      64.102               -276.954              -2452.161
 CID3   Fr= 1--       8.893                 -4.788                -14.029
 RC180  Fr= 1--      -0.599                  0.714                 -0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     66.5929               393.1091                31.4915
  Dep-P Fr= 1--      0.7500                 0.0294                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0572                 0.8571
 Alpha2 Fr= 1--      0.0000                 8.1532                 0.0000
 Beta2  Fr= 1--      9.5133                 3.7453                 4.4986
 AlphaG Fr= 1--      0.0000                 1.3951                 0.0000
 Gamma2 Fr= 1--     26.8821               -19.0606                25.3671
 Delta2 Fr= 1--    -12.9724                -2.7034                -8.9727
 Raman1 Fr= 1--     266.372               1572.436                125.966
 ROA1   Fr= 1--    2165.571              -1916.324               2148.118
 CID1   Fr= 1--       8.130                 -1.219                 17.053
 Raman2 Fr= 1--     114.159                 44.943                 53.983
 ROA2   Fr= 1--     748.950               -435.827                680.592
 CID2   Fr= 1--       6.561                 -9.697                 12.608
 Raman3 Fr= 1--     228.319                 89.886                107.966
 ROA3   Fr= 1--    2165.571              -1916.324               2148.118
 CID3   Fr= 1--       9.485                -21.319                 19.896
 RC180  Fr= 1--       0.714                 -0.886                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     50.7629               315.3360               160.7692
  Dep-P Fr= 1--      0.7498                 0.0424                 0.7473
  Dep-U Fr= 1--      0.8570                 0.0813                 0.8554
 Alpha2 Fr= 1--      0.0002                 6.3429                 0.0074
 Beta2  Fr= 1--      7.2507                 4.2721                22.9195
 AlphaG Fr= 1--     -0.0001                -1.8135                -0.2079
 Gamma2 Fr= 1--    -10.8912                 9.6589                -8.3956
 Delta2 Fr= 1--     -7.5242                 0.0233                 1.1584
 Raman1 Fr= 1--     203.052               1261.344                643.077
 ROA1   Fr= 1--   -1286.331                927.997               -768.911
 CID1   Fr= 1--      -6.335                  0.736                 -1.196
 Raman2 Fr= 1--      87.008                 51.265                275.034
 ROA2   Fr= 1--    -201.196                231.627               -210.761
 CID2   Fr= 1--      -2.312                  4.518                 -0.766
 Raman3 Fr= 1--     174.016                102.530                550.069
 ROA3   Fr= 1--   -1286.331                927.997               -768.911
 CID3   Fr= 1--      -7.392                  9.051                 -1.398
 RC180  Fr= 1--       0.714                 -0.837                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     25.2373                45.8279               191.8352
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7131
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8325
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1224
 Beta2  Fr= 1--      3.6053                 6.5467                26.6183
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.4441
 Gamma2 Fr= 1--     27.1522               -20.1869                13.4826
 Delta2 Fr= 1--      7.5657                 4.1672                 4.9694
 Raman1 Fr= 1--     100.949                183.312                767.341
 ROA1   Fr= 1--    2848.717              -1804.587               1453.351
 CID1   Fr= 1--      28.219                 -9.844                  1.894
 Raman2 Fr= 1--      43.264                 78.560                319.420
 ROA2   Fr= 1--     591.128               -517.822                283.827
 CID2   Fr= 1--      13.663                 -6.591                  0.889
 Raman3 Fr= 1--      86.528                157.121                638.839
 ROA3   Fr= 1--    2848.717              -1804.587               1453.351
 CID3   Fr= 1--      32.923                -11.485                  2.275
 RC180  Fr= 1--       0.714                  0.714                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118889D+03 -0.395717D-05 -0.503784D+01
      2  -0.395717D-05  0.830115D+02 -0.165573D-04
      3  -0.503784D+01 -0.165573D-04  0.754585D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.577579D+01 -0.967732D-04  0.492459D+01
      2   0.336978D-04  0.191992D+02  0.244682D-03
      3   0.350793D+02  0.398914D-03 -0.149712D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.108487D-02 -0.780291D+02 -0.881082D-03
      2  -0.155279D-02  0.262806D+02  0.217594D-03
      3   0.467921D-03  0.517485D+02  0.663488D-03
      4  -0.112120D+03 -0.141566D-02  0.599917D+02
      5  -0.950970D-03  0.608270D+02  0.119604D-02
      6   0.407319D+02 -0.150011D-03  0.399236D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.109919D+02  0.462171D+01  0.606289D+01 -0.262834D+01 -0.125269D+01
      2   0.462171D+01 -0.250441D+01  0.300353D+00 -0.125269D+01 -0.411257D+01
      3   0.606289D+01  0.300353D+00  0.197788D+01  0.160985D+00  0.106001D+00
                 6             7             8             9            10 
      1   0.160985D+00  0.359178D+01  0.304099D+01  0.255904D+01  0.657713D-03
      2   0.106001D+00  0.304099D+01  0.204646D+01  0.708136D+00 -0.111111D+02
      3   0.254608D+01  0.255904D+01  0.708136D+00 -0.442539D+01 -0.120183D-03
                11            12            13            14            15 
      1  -0.111111D+02 -0.120183D-03 -0.868482D+01  0.177368D-03 -0.522387D+01
      2   0.541442D-04 -0.936889D+00  0.177368D-03 -0.168509D+01  0.167165D-04
      3  -0.936889D+00  0.101283D-04 -0.522387D+01  0.167165D-04 -0.156780D+01
                16            17            18            19            20 
      1  -0.138776D-03 -0.735180D+01 -0.143859D-03 -0.129271D+02  0.810341D+01
      2  -0.735180D+01  0.226676D-05 -0.152580D+01  0.810341D+01 -0.644434D+01
      3  -0.143859D-03 -0.152580D+01 -0.116338D-03  0.376611D+01 -0.773910D+00
                21            22            23            24            25 
      1   0.376611D+01  0.151798D+02 -0.560710D+01 -0.416749D+00  0.121003D+02
      2  -0.773910D+00 -0.560710D+01  0.731040D+01 -0.143064D+00 -0.716534D+00
      3  -0.381046D+01 -0.416749D+00 -0.143064D+00  0.138588D+01 -0.165386D+01
                26            27            28            29            30 
      1  -0.716534D+00 -0.165386D+01  0.728844D+01 -0.467074D+01 -0.760541D+01
      2   0.870660D+00  0.520045D+00 -0.467074D+01  0.522836D+01  0.111152D+01
      3   0.520045D+00  0.265337D+01 -0.760541D+01  0.111152D+01  0.466193D+01
                31            32            33            34            35 
      1  -0.838807D+01  0.884013D+01 -0.889593D+00 -0.126748D+02  0.192939D+00
      2   0.884013D+01 -0.977244D+01  0.226088D+01  0.192939D+00  0.262743D+01
      3  -0.889593D+00  0.226088D+01  0.112898D+01  0.609369D+01  0.697592D+00
                36            37            38            39            40 
      1   0.609369D+01 -0.109921D+02  0.462183D+01 -0.606275D+01 -0.262831D+01
      2   0.697592D+00  0.462183D+01  0.250440D+01  0.300485D+00  0.125260D+01
      3  -0.271132D+01 -0.606275D+01  0.300485D+00 -0.197790D+01  0.161093D+00
                41            42            43            44            45 
      1   0.125260D+01  0.161093D+00 -0.359172D+01  0.304112D+01 -0.255902D+01
      2  -0.411261D+01 -0.106081D+00  0.304112D+01 -0.204646D+01  0.707802D+00
      3  -0.106081D+00  0.254586D+01 -0.255902D+01  0.707802D+00  0.442574D+01
                46            47            48            49            50 
      1   0.129261D+02  0.810334D+01 -0.376597D+01  0.151798D+02  0.560709D+01
      2   0.810334D+01  0.644432D+01 -0.773916D+00  0.560709D+01  0.731055D+01
      3  -0.376597D+01 -0.773916D+00  0.381040D+01 -0.416768D+00  0.143016D+00
                51            52            53            54            55 
      1  -0.416768D+00 -0.121002D+02 -0.716537D+00  0.165394D+01 -0.728789D+01
      2   0.143016D+00 -0.716537D+00 -0.870712D+00  0.520214D+00 -0.467072D+01
      3   0.138605D+01  0.165394D+01  0.520214D+00 -0.265353D+01  0.760532D+01
                56            57            58            59            60 
      1  -0.467072D+01  0.760532D+01 -0.838798D+01 -0.884007D+01 -0.889497D+00
      2  -0.522838D+01  0.111165D+01 -0.884007D+01 -0.977239D+01 -0.226100D+01
      3   0.111165D+01 -0.466199D+01 -0.889497D+00 -0.226100D+01  0.112880D+01
                61            62            63            64            65 
      1   0.126747D+02  0.193044D+00 -0.609381D+01 -0.923543D+00  0.154467D+01
      2   0.193044D+00 -0.262753D+01  0.697383D+00  0.154467D+01 -0.313103D+01
      3  -0.609381D+01  0.697383D+00  0.271150D+01  0.978204D-01  0.812716D+00
                66            67            68            69            70 
      1   0.978204D-01  0.374572D+01 -0.313701D+01  0.825578D+00  0.161978D+01
      2   0.812716D+00 -0.313701D+01  0.107406D+02 -0.229264D+01 -0.363412D+00
      3  -0.771557D+00  0.825578D+00 -0.229264D+01  0.167594D+01 -0.398145D+00
                71            72            73            74            75 
      1  -0.363412D+00 -0.398145D+00  0.109846D+01 -0.984218D-01 -0.363577D+00
      2   0.808078D+00  0.119681D+01 -0.984218D-01 -0.406971D+00 -0.113612D+00
      3   0.119681D+01 -0.117099D+01 -0.363577D+00 -0.113612D+00  0.114962D+01
                76            77            78            79            80 
      1  -0.657519D+00 -0.512546D+00  0.233181D-01 -0.204224D+01 -0.322743D+00
      2  -0.512546D+00  0.666687D+00 -0.112029D+01 -0.322743D+00 -0.182302D+01
      3   0.233181D-01 -0.112029D+01 -0.182152D+01 -0.747199D+00  0.181590D+01
                81            82            83            84            85 
      1  -0.747199D+00  0.923513D+00  0.154464D+01 -0.977973D-01  0.374574D+01
      2   0.181590D+01  0.154464D+01  0.313096D+01  0.812762D+00  0.313698D+01
      3  -0.112505D+02 -0.977973D-01  0.812762D+00  0.771589D+00  0.825634D+00
                86            87            88            89            90 
      1   0.313698D+01  0.825634D+00 -0.161969D+01 -0.363344D+00  0.398154D+00
      2   0.107405D+02  0.229281D+01 -0.363344D+00 -0.807893D+00  0.119681D+01
      3   0.229281D+01  0.167601D+01  0.398154D+00  0.119681D+01  0.117106D+01
                91            92            93            94            95 
      1  -0.109845D+01 -0.984429D-01  0.363552D+00 -0.657553D+00  0.512554D+00
      2  -0.984429D-01  0.406987D+00 -0.113564D+00  0.512554D+00  0.666561D+00
      3   0.363552D+00 -0.113564D+00 -0.114961D+01  0.233106D-01  0.112029D+01
                96            97            98            99           100 
      1   0.233106D-01  0.204223D+01 -0.322748D+00  0.747175D+00  0.211035D+01
      2   0.112029D+01 -0.322748D+00  0.182293D+01  0.181563D+01 -0.119703D+01
      3  -0.182178D+01  0.747175D+00  0.181563D+01  0.112504D+02 -0.291031D+00
               101           102           103           104           105 
      1  -0.119703D+01 -0.291031D+00 -0.200829D+01  0.135089D+01  0.161808D+01
      2  -0.357887D+00 -0.700009D+00  0.135089D+01 -0.364370D+01 -0.327215D+01
      3  -0.700009D+00 -0.124262D+01  0.161808D+01 -0.327215D+01 -0.374564D+01
               106           107           108           109           110 
      1  -0.963985D+00  0.152374D+01  0.105856D+01  0.133400D+02 -0.274804D+01
      2   0.152374D+01 -0.443582D+01 -0.364054D+01 -0.274804D+01  0.169426D+01
      3   0.105856D+01 -0.364054D+01 -0.446118D+01  0.152599D+01 -0.168734D+00
               111           112           113           114           115 
      1   0.152599D+01 -0.900877D+00  0.116210D+01  0.129025D+01  0.495182D+01
      2  -0.168734D+00  0.116210D+01 -0.346248D+00 -0.548191D+00  0.320829D+00
      3   0.113528D+01  0.129025D+01 -0.548191D+00 -0.385642D+00  0.140059D+01
               116           117           118           119           120 
      1   0.320829D+00  0.140059D+01 -0.133401D+02 -0.274813D+01 -0.152603D+01
      2  -0.568455D+00 -0.534779D+00 -0.274813D+01 -0.169429D+01 -0.168768D+00
      3  -0.534779D+00  0.512331D+00 -0.152603D+01 -0.168768D+00 -0.113526D+01
               121           122           123           124           125 
      1  -0.901018D+00 -0.116219D+01  0.129023D+01 -0.495184D+01  0.320781D+00
      2  -0.116219D+01 -0.346329D+00  0.548210D+00  0.320781D+00  0.568466D+00
      3   0.129023D+01  0.548210D+00 -0.385650D+00 -0.140054D+01 -0.534762D+00
               126           127           128           129           130 
      1  -0.140054D+01 -0.211029D+01 -0.119701D+01  0.291000D+00 -0.200828D+01
      2  -0.534762D+00 -0.119701D+01  0.357981D+00 -0.700086D+00 -0.135091D+01
      3  -0.512350D+00  0.291000D+00 -0.700086D+00  0.124267D+01  0.161801D+01
               131           132           133           134           135 
      1  -0.135091D+01  0.161801D+01  0.963953D+00  0.152368D+01 -0.105844D+01
      2  -0.364388D+01  0.327219D+01  0.152368D+01  0.443587D+01 -0.364046D+01
      3   0.327219D+01 -0.374557D+01 -0.105844D+01 -0.364046D+01  0.446095D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.152799D+01 -0.390186D+01 -0.402105D+01 -0.403564D+00 -0.111392D+02
      2   0.969515D+00 -0.459766D+00  0.229155D+01 -0.518816D+01  0.674829D+01
      3   0.419120D+01  0.423081D+01  0.554146D+01  0.640026D+01  0.258231D+01
                 6             7             8             9            10 
      1  -0.927381D+01 -0.276214D+01  0.855833D+01  0.121525D+02 -0.169314D-03
      2   0.547886D+01 -0.282620D+01 -0.112853D+01 -0.891785D+01  0.705676D+01
      3   0.602711D+00  0.425390D+01 -0.139477D+01 -0.838758D+00  0.508784D-03
                11            12            13            14            15 
      1   0.395937D+00  0.848167D-05 -0.107586D+02  0.307342D-04 -0.241112D+01
      2  -0.954005D-05  0.113244D+02 -0.214812D-04 -0.363040D+01 -0.608518D-04
      3  -0.189825D+02 -0.171055D-04  0.192509D+02  0.762152D-04 -0.101425D+01
                16            17            18            19            20 
      1  -0.134677D-03  0.745948D+00  0.135268D-04 -0.403043D+00  0.364579D+01
      2  -0.232935D+02 -0.140874D-03  0.221600D+01  0.195838D+01  0.252037D+01
      3  -0.120481D-04 -0.446554D+01 -0.195435D-04  0.507315D+00  0.882855D+01
                21            22            23            24            25 
      1  -0.651851D+01  0.316400D+01 -0.891166D+01 -0.117965D+01 -0.105352D+02
      2  -0.621031D+01  0.973969D-01 -0.376292D+01  0.436678D+01 -0.179185D+02
      3  -0.662029D+01  0.225290D+02 -0.204420D+02  0.236927D+01  0.612008D-01
                26            27            28            29            30 
      1   0.533937D+01  0.576842D+01 -0.646896D+01 -0.362911D+01  0.612897D+01
      2   0.281070D+01  0.592835D+01 -0.171483D+02  0.527301D+01  0.120004D+02
      3   0.272482D+00  0.555741D+01  0.111672D+02 -0.153064D+02  0.301183D+00
                31            32            33            34            35 
      1  -0.265117D+01  0.358399D+01 -0.351605D+01  0.227435D+01  0.411236D+01
      2  -0.286068D+01  0.924861D+01  0.291019D+01  0.247360D+01  0.693352D+01
      3  -0.111402D+02  0.172918D+02 -0.875612D+01  0.799950D+01 -0.746174D+01
                36            37            38            39            40 
      1   0.106703D+01 -0.152802D+01 -0.390204D+01  0.402095D+01 -0.403729D+00
      2  -0.436711D+01  0.969447D+00  0.459552D+00  0.229172D+01  0.518786D+01
      3  -0.852818D+01 -0.419124D+01  0.423107D+01 -0.554127D+01  0.640047D+01
                41            42            43            44            45 
      1   0.111392D+02 -0.927320D+01  0.276204D+01  0.855900D+01 -0.121527D+02
      2   0.674836D+01 -0.547841D+01 -0.282578D+01  0.112928D+01 -0.891835D+01
      3  -0.258220D+01  0.602559D+00 -0.425371D+01 -0.139475D+01  0.838393D+00
                46            47            48            49            50 
      1   0.403321D+00  0.364560D+01  0.651856D+01  0.316386D+01  0.891168D+01
      2   0.195858D+01 -0.252007D+01 -0.621045D+01 -0.969828D-01 -0.376276D+01
      3  -0.507935D+00  0.882807D+01  0.662019D+01  0.225287D+02  0.204417D+02
                51            52            53            54            55 
      1  -0.117933D+01  0.105353D+02  0.533964D+01 -0.576837D+01  0.646889D+01
      2  -0.436716D+01 -0.179189D+02 -0.281111D+01  0.592869D+01 -0.171483D+02
      3   0.236958D+01 -0.612298D-01  0.272887D+00 -0.555720D+01 -0.111671D+02
                56            57            58            59            60 
      1  -0.362886D+01 -0.612912D+01 -0.265100D+01 -0.358405D+01 -0.351614D+01
      2  -0.527353D+01  0.120007D+02  0.286024D+01  0.924867D+01 -0.290978D+01
      3  -0.153065D+02 -0.300870D+00 -0.111400D+02 -0.172913D+02 -0.875655D+01
                61            62            63            64            65 
      1  -0.227447D+01  0.411238D+01 -0.106688D+01 -0.170046D+01  0.369562D+01
      2   0.247430D+01 -0.693304D+01 -0.436784D+01 -0.278749D+01  0.107484D+01
      3  -0.799938D+01 -0.746226D+01  0.852790D+01  0.188808D+01 -0.344068D+01
                66            67            68            69            70 
      1  -0.499689D+00  0.257521D+01 -0.118644D+02 -0.172279D+01  0.124133D-03
      2   0.143711D+01  0.218598D+01 -0.109871D+01 -0.158378D+01 -0.179740D-01
      3   0.103162D+01  0.285476D+01  0.876033D+01 -0.216737D+01  0.104830D+01
                71            72            73            74            75 
      1  -0.216288D+01  0.303464D+00  0.147478D+01 -0.420510D+00 -0.119580D+01
      2  -0.201470D+01  0.135241D+01  0.286483D+01 -0.520048D+00 -0.541879D+00
      3   0.330001D+00  0.897080D+00 -0.885803D+00 -0.164837D+01  0.137236D+00
                76            77            78            79            80 
      1   0.105377D+00 -0.106418D+00  0.348225D+01  0.507181D+00  0.241989D+01
      2  -0.904954D+00  0.962784D+00  0.290508D+01 -0.418610D+01 -0.272945D+01
      3  -0.554077D+00  0.312912D-01 -0.158300D+01 -0.322332D+01 -0.197637D+01
                81            82            83            84            85 
      1   0.122694D+02  0.170045D+01  0.369555D+01  0.499784D+00  0.257515D+01
      2   0.133324D+02 -0.278741D+01 -0.107478D+01  0.143710D+01 -0.218598D+01
      3   0.362882D+00 -0.188811D+01 -0.344064D+01 -0.103166D+01  0.285479D+01
                86            87            88            89            90 
      1   0.118644D+02 -0.172254D+01 -0.707981D-04 -0.216257D+01 -0.303547D+00
      2  -0.109856D+01  0.158378D+01 -0.180008D-01  0.201459D+01  0.135247D+01
      3  -0.876022D+01 -0.216749D+01 -0.104819D+01  0.329880D+00 -0.897067D+00
                91            92            93            94            95 
      1  -0.147477D+01 -0.420563D+00  0.119578D+01  0.105355D+00  0.106253D+00
      2   0.286477D+01  0.520139D+00 -0.541816D+00  0.905066D+00  0.962776D+00
      3   0.885881D+00 -0.164834D+01 -0.137314D+00 -0.554129D+00 -0.311491D-01
                96            97            98            99           100 
      1   0.348259D+01 -0.507140D+00  0.242025D+01 -0.122692D+02  0.125235D+01
      2  -0.290540D+01 -0.418614D+01  0.272909D+01  0.133322D+02 -0.106810D+01
      3  -0.158305D+01  0.322317D+01 -0.197627D+01 -0.362600D+00  0.193520D+01
               101           102           103           104           105 
      1   0.639445D-01 -0.233043D+01  0.379636D+01 -0.134635D+01 -0.521388D+01
      2  -0.229414D+01 -0.262597D+01  0.886857D+00 -0.770263D+01 -0.920716D+01
      3   0.149559D+01  0.249194D+01 -0.102194D+01  0.861552D+01  0.832754D+01
               106           107           108           109           110 
      1  -0.143560D+01  0.181791D+01 -0.460061D+01  0.317928D+01  0.348326D+00
      2   0.156342D+01 -0.102689D+02 -0.106002D+02  0.104249D+02 -0.291505D+01
      3  -0.178706D+01  0.116554D+02  0.992529D+01 -0.489480D+01 -0.542511D+01
               111           112           113           114           115 
      1   0.117846D+01  0.511312D-01  0.235142D+00 -0.237117D+00  0.173814D+01
      2   0.685274D+01  0.352879D+01 -0.258036D+01 -0.114941D+01  0.283794D+01
      3  -0.882692D+00  0.102728D+01 -0.512557D+00  0.454404D+00 -0.631433D+01
               116           117           118           119           120 
      1   0.298134D+00 -0.190504D+00 -0.317928D+01  0.348301D+00 -0.117849D+01
      2  -0.613060D+00  0.342396D+01  0.104248D+02  0.291515D+01  0.685270D+01
      3   0.807729D+00  0.164814D+01  0.489480D+01 -0.542511D+01  0.882666D+00
               121           122           123           124           125 
      1   0.511756D-01 -0.235095D+00 -0.237156D+00 -0.173809D+01  0.298092D+00
      2  -0.352864D+01 -0.258037D+01  0.114949D+01  0.283771D+01  0.612996D+00
      3   0.102709D+01  0.512334D+00  0.454487D+00  0.631422D+01  0.807818D+00
               126           127           128           129           130 
      1   0.190495D+00 -0.125234D+01  0.638882D-01  0.233057D+01  0.379627D+01
      2   0.342401D+01 -0.106815D+01  0.229432D+01 -0.262609D+01 -0.886768D+00
      3  -0.164813D+01 -0.193525D+01  0.149587D+01 -0.249216D+01 -0.102193D+01
               131           132           133           134           135 
      1   0.134647D+01 -0.521396D+01  0.143569D+01  0.181785D+01  0.460051D+01
      2  -0.770278D+01  0.920699D+01  0.156318D+01  0.102687D+02 -0.105996D+02
      3  -0.861601D+01  0.832770D+01  0.178694D+01  0.116555D+02 -0.992514D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.395856D+01  0.106373D+02  0.661126D+01  0.354487D+01  0.380075D+01
      2  -0.533691D+01 -0.155671D+02 -0.111609D+02 -0.577176D+01 -0.198264D+02
      3   0.929547D+01  0.492983D+01  0.454965D+01  0.222688D+01  0.160256D+02
      4   0.450314D+01 -0.696449D+01  0.258689D+01 -0.154582D+01 -0.214558D+02
      5   0.230192D+02  0.748430D+01  0.126029D+02  0.236741D-02 -0.360041D+01
      6   0.148733D+02 -0.254140D+01  0.203085D+01 -0.340999D+01 -0.333838D+01
                 6             7             8             9            10 
      1  -0.555114D+01 -0.572205D+01 -0.583979D+00  0.177033D+02  0.267881D+02
      2  -0.535865D+01 -0.238307D+01  0.584247D+01  0.122847D+02 -0.501033D+01
      3   0.109098D+02  0.810511D+01 -0.525849D+01 -0.299880D+02 -0.217778D+02
      4  -0.409173D+01  0.946830D+01  0.263465D+01  0.215235D+01 -0.514464D-03
      5   0.256565D+01  0.156237D+02  0.456489D+01 -0.254967D+01 -0.438712D+02
      6   0.463114D+01  0.725030D+01  0.709840D+01  0.205421D+01  0.527286D-03
                11            12            13            14            15 
      1  -0.868321D-04 -0.559397D+00 -0.183118D-03  0.249967D+01 -0.381183D-04
      2   0.121511D-03  0.603559D+01  0.248813D-03  0.402691D+01  0.143228D-03
      3  -0.346784D-04 -0.547619D+01 -0.656944D-04 -0.652659D+01 -0.105109D-03
      4   0.207315D+02  0.142958D-03 -0.674632D+01  0.146638D-04  0.275938D+01
      5   0.196716D-03  0.358782D+01  0.285707D-03 -0.101624D+02  0.354776D-04
      6  -0.758866D+01 -0.356986D-04 -0.117161D+02  0.300882D-03 -0.394477D+01
                16            17            18            19            20 
      1   0.121965D+02  0.106411D-04 -0.587766D+01 -0.312440D+02  0.649150D+01
      2  -0.120425D+01  0.312516D-03  0.644887D+00  0.119687D+02  0.876222D+01
      3  -0.109922D+02 -0.323157D-03  0.523277D+01  0.192753D+02 -0.152537D+02
      4   0.235699D-03  0.154205D+01 -0.195807D-04  0.265329D+02 -0.309515D+02
      5  -0.259858D+02 -0.108944D-03 -0.586109D+01  0.364242D+02 -0.847973D+01
      6  -0.129010D-03 -0.757932D+01 -0.235774D-03 -0.583161D+01  0.136131D+01
                21            22            23            24            25 
      1   0.142654D+02  0.240979D+02 -0.130794D+02 -0.377514D+01  0.184949D+02
      2  -0.128767D+02 -0.956049D+01  0.106822D+01  0.873080D+01 -0.710761D+01
      3  -0.138873D+01 -0.145375D+02  0.120112D+02 -0.495566D+01 -0.113873D+02
      4  -0.448026D+01 -0.221930D+02  0.355750D+02 -0.260660D+01 -0.206911D+02
      5  -0.230558D+02 -0.191932D+02  0.423323D+01  0.142579D+02 -0.653335D+01
      6   0.549585D+01  0.613663D+01 -0.408139D+01  0.406211D+01  0.589289D+01
                26            27            28            29            30 
      1   0.105203D+01 -0.152277D+02  0.459277D+01 -0.663194D+01 -0.294618D+02
      2  -0.790038D+01  0.387435D+01 -0.438044D+01 -0.330648D+01  0.210836D+02
      3   0.684834D+01  0.113533D+02 -0.212324D+00  0.993842D+01  0.837818D+01
      4   0.449452D+01  0.177309D+01 -0.136173D+02  0.281282D+02  0.992215D+01
      5   0.479639D+00  0.100707D+02 -0.486905D+02  0.793312D+01  0.279129D+02
      6   0.651103D+01 -0.661443D+01  0.984052D+01 -0.451379D+01 -0.377363D+01
                31            32            33            34            35 
      1  -0.610389D+01  0.122884D+02  0.100866D+02 -0.473603D+02  0.136689D+02
      2  -0.136753D+02  0.173510D+02 -0.547788D+01  0.335320D+02 -0.116870D+02
      3   0.197792D+02 -0.296394D+02 -0.460876D+01  0.138283D+02 -0.198189D+01
      4   0.482222D+02 -0.468108D+02  0.595173D+01  0.671190D+01  0.759123D+01
      5  -0.900864D+00  0.751392D+01  0.348699D+01  0.387790D+02 -0.515141D+00
      6  -0.141215D+01 -0.106862D+02 -0.245089D+01 -0.653395D+01 -0.159516D+01
                36            37            38            39            40 
      1   0.234973D+02 -0.395853D+01 -0.106372D+02  0.661082D+01 -0.354466D+01
      2  -0.206531D+02 -0.533627D+01  0.155675D+02 -0.111605D+02  0.577206D+01
      3  -0.284421D+01  0.929479D+01 -0.493029D+01  0.454965D+01 -0.222740D+01
      4   0.984936D+00 -0.450340D+01 -0.696451D+01 -0.258727D+01 -0.154557D+01
      5  -0.186338D+02  0.230191D+02 -0.748476D+01  0.126026D+02 -0.281876D-02
      6  -0.782161D+01 -0.148735D+02 -0.254085D+01 -0.203128D+01 -0.340958D+01
                41            42            43            44            45 
      1   0.380080D+01  0.555043D+01 -0.572231D+01  0.583182D+00  0.177041D+02
      2  -0.198266D+02  0.535771D+01 -0.238251D+01 -0.584367D+01  0.122850D+02
      3   0.160258D+02 -0.109081D+02  0.810482D+01  0.526049D+01 -0.299891D+02
      4   0.214563D+02 -0.409136D+01 -0.946889D+01  0.263509D+01 -0.215187D+01
      5  -0.359995D+01 -0.256568D+01  0.156236D+02 -0.456447D+01 -0.255039D+01
      6   0.333738D+01  0.463146D+01 -0.725050D+01  0.709798D+01 -0.205244D+01
                46            47            48            49            50 
      1  -0.312428D+02 -0.649164D+01  0.142653D+02 -0.240980D+02 -0.130796D+02
      2   0.119679D+02 -0.876201D+01 -0.128765D+02  0.956021D+01  0.106797D+01
      3   0.192749D+02  0.152536D+02 -0.138882D+01  0.145378D+02  0.120117D+02
      4  -0.265318D+02 -0.309513D+02  0.448045D+01 -0.221935D+02 -0.355754D+02
      5   0.364234D+02  0.847991D+01 -0.230554D+02  0.191932D+02  0.423338D+01
      6   0.583096D+01  0.136090D+01 -0.549601D+01  0.613653D+01  0.408078D+01
                51            52            53            54            55 
      1   0.377587D+01  0.184945D+02 -0.105156D+01 -0.152282D+02  0.459173D+01
      2  -0.873123D+01 -0.710702D+01  0.790007D+01  0.387423D+01 -0.437985D+01
      3   0.495536D+01 -0.113874D+02 -0.684851D+01  0.113539D+02 -0.211876D+00
      4  -0.260640D+01  0.206912D+02  0.449431D+01 -0.177359D+01  0.136164D+02
      5  -0.142583D+02 -0.653295D+01 -0.480026D+00  0.100709D+02 -0.486899D+02
      6   0.406187D+01 -0.589275D+01  0.651139D+01  0.661449D+01 -0.984049D+01
                56            57            58            59            60 
      1   0.663164D+01 -0.294612D+02  0.610338D+01  0.122887D+02 -0.100875D+02
      2   0.330652D+01  0.210832D+02  0.136753D+02  0.173505D+02  0.547888D+01
      3  -0.993817D+01  0.837805D+01 -0.197787D+02 -0.296392D+02  0.460861D+01
      4   0.281280D+02 -0.992273D+01  0.482215D+02  0.468106D+02  0.595202D+01
      5  -0.793366D+01  0.279129D+02  0.900284D+00  0.751426D+01 -0.348609D+01
      6  -0.451391D+01  0.377413D+01 -0.141186D+01  0.106871D+02 -0.245076D+01
                61            62            63            64            65 
      1  -0.473598D+02 -0.136697D+02  0.234975D+02  0.415377D+01  0.231377D+01
      2   0.335316D+02  0.116880D+02 -0.206534D+02  0.310193D+01 -0.919608D+01
      3   0.138281D+02  0.198171D+01 -0.284405D+01 -0.725570D+01  0.688231D+01
      4  -0.671261D+01  0.759133D+01 -0.983850D+00 -0.101198D+02  0.175748D+02
      5   0.387794D+02  0.516198D+00 -0.186347D+02  0.640537D+00 -0.473408D+01
      6   0.653457D+01 -0.159492D+01  0.782104D+01 -0.148632D+01  0.557383D+01
                66            67            68            69            70 
      1  -0.226011D+01  0.111678D+01 -0.219031D+02  0.592143D+01 -0.161925D+01
      2   0.308715D+01 -0.925955D+01  0.421909D+02 -0.560603D+01  0.482511D-02
      3  -0.827034D+00  0.814278D+01 -0.202878D+02 -0.315394D+00  0.161442D+01
      4  -0.399291D+01  0.166090D+02 -0.351819D+02  0.789930D+01  0.153222D+01
      5   0.450582D+01 -0.506552D+01  0.972019D+01 -0.523933D+01  0.641400D+00
      6  -0.262999D+01  0.727483D+01 -0.178473D+02  0.972864D+01 -0.143800D+01
                71            72            73            74            75 
      1   0.468017D+00 -0.500010D+01 -0.183404D+00  0.295935D+00  0.433178D+01
      2   0.526131D+01  0.786344D+00 -0.192007D+01 -0.625355D+00  0.135199D+01
      3  -0.572933D+01  0.421376D+01  0.210347D+01  0.329420D+00 -0.568377D+01
      4  -0.203033D+01 -0.425908D+01  0.795352D+00  0.360069D+01 -0.179593D+01
      5  -0.375891D+01  0.282803D+01 -0.623581D+00 -0.837936D+00  0.553518D+01
      6   0.517003D+01 -0.271108D+01  0.107725D+01 -0.488845D-01  0.113938D+01
                76            77            78            79            80 
      1   0.232745D+01 -0.438565D+01 -0.420569D+01  0.125258D+01  0.740397D+01
      2  -0.205096D+01  0.328207D+01 -0.638738D+01 -0.239139D+01 -0.484328D+00
      3  -0.276489D+00  0.110358D+01  0.105931D+02  0.113880D+01 -0.691964D+01
      4   0.245272D+01 -0.250890D+01  0.317969D+01  0.340704D-01  0.453488D+01
      5   0.212970D+01  0.297608D+01  0.269837D+01  0.668038D+01 -0.388441D+01
      6   0.157949D+01 -0.123123D+01  0.546677D+01 -0.868394D+00  0.817906D+01
                81            82            83            84            85 
      1  -0.326866D+02  0.415373D+01 -0.231378D+01 -0.226019D+01 -0.111674D+01
      2  -0.224240D+02  0.310183D+01  0.919571D+01  0.308725D+01  0.925912D+01
      3   0.551106D+02 -0.725556D+01 -0.688193D+01 -0.827056D+00 -0.814238D+01
      4  -0.320283D+01  0.101196D+02  0.175744D+02  0.399314D+01  0.166088D+02
      5   0.202180D+02  0.640684D+00  0.473430D+01  0.450599D+01  0.506589D+01
      6  -0.130531D+02  0.148650D+01  0.557412D+01  0.263020D+01  0.727517D+01
                86            87            88            89            90 
      1  -0.219030D+02 -0.592184D+01 -0.161932D+01 -0.468382D+00 -0.500022D+01
      2   0.421901D+02  0.560653D+01  0.500403D-02 -0.526058D+01  0.786258D+00
      3  -0.202870D+02  0.315317D+00  0.161431D+01  0.572896D+01  0.421396D+01
      4   0.351813D+02  0.789983D+01 -0.153189D+01 -0.202970D+01  0.425910D+01
      5   0.972073D+01  0.523964D+01  0.641451D+00  0.375898D+01  0.282826D+01
      6   0.178485D+02  0.972915D+01  0.143812D+01  0.517010D+01  0.271132D+01
                91            92            93            94            95 
      1  -0.183360D+00 -0.296135D+00  0.433166D+01 -0.232749D+01 -0.438551D+01
      2  -0.191999D+01  0.625331D+00  0.135207D+01  0.205094D+01  0.328182D+01
      3   0.210335D+01 -0.329196D+00 -0.568373D+01  0.276549D+00  0.110369D+01
      4  -0.795380D+00  0.360060D+01  0.179585D+01  0.245272D+01  0.250856D+01
      5  -0.623620D+00  0.837850D+00  0.553515D+01 -0.212987D+01  0.297607D+01
      6  -0.107741D+01 -0.488013D-01 -0.113919D+01  0.157954D+01  0.123085D+01
                96            97            98            99           100 
      1   0.420652D+01  0.125255D+01 -0.740311D+01 -0.326863D+02  0.909410D+01
      2   0.638775D+01 -0.239132D+01  0.484680D+00 -0.224243D+02 -0.241171D+01
      3  -0.105943D+02  0.113877D+01  0.691843D+01  0.551106D+02 -0.668239D+01
      4   0.317969D+01 -0.342170D-01  0.453472D+01  0.320240D+01 -0.684334D+01
      5  -0.269878D+01  0.668024D+01  0.388397D+01  0.202178D+02 -0.102318D+01
      6   0.546679D+01  0.868330D+00  0.817850D+01  0.130513D+02  0.149646D+01
               101           102           103           104           105 
      1  -0.805884D+01 -0.571278D+01 -0.386424D+01 -0.107108D+02 -0.954435D+01
      2   0.368678D+01  0.124992D+01  0.343713D+01  0.101659D+02  0.476098D+01
      3   0.437207D+01  0.446286D+01  0.427112D+00  0.544874D+00  0.478337D+01
      4   0.379330D+01  0.677333D+00  0.101674D+02 -0.143289D+02 -0.123869D+02
      5   0.127135D-01 -0.114754D+01  0.878397D+01 -0.131982D+02 -0.164186D+02
      6   0.282455D+01  0.325197D+01 -0.536426D+01  0.161051D+02  0.159889D+02
               106           107           108           109           110 
      1   0.143219D+01 -0.132350D+02 -0.152707D+02  0.834107D+02 -0.125710D+02
      2  -0.326103D+01  0.118664D+02  0.470010D+01 -0.381463D+02  0.361020D+01
      3   0.182884D+01  0.136857D+01  0.105706D+02 -0.452644D+02  0.896077D+01
      4   0.745190D+01 -0.166986D+02 -0.132859D+02 -0.306835D+02  0.159590D+02
      5   0.675260D+01 -0.138496D+02 -0.169426D+02  0.966992D+01 -0.157041D+01
      6  -0.592371D+01  0.174395D+02  0.183278D+02 -0.675495D+01  0.113829D+01
               111           112           113           114           115 
      1   0.914748D+01 -0.517745D+01  0.506950D+01  0.327951D+01  0.291032D+02
      2  -0.407380D+01  0.130784D+01 -0.903662D+00 -0.119545D+01 -0.161128D+02
      3  -0.507369D+01  0.386961D+01 -0.416583D+01 -0.208406D+01 -0.129904D+02
      4  -0.260102D+01  0.910529D+01 -0.271212D+01 -0.184473D+01 -0.226794D+01
      5   0.958195D+01  0.787714D+01 -0.256434D+01 -0.255975D+01  0.104939D+02
      6  -0.354562D+01 -0.146592D+01  0.216999D+01  0.227462D+01 -0.424363D+01
               116           117           118           119           120 
      1  -0.229827D+01  0.477019D+01  0.834106D+02  0.125713D+02  0.914753D+01
      2   0.122627D+01 -0.404377D+01 -0.381463D+02 -0.361029D+01 -0.407386D+01
      3   0.107200D+01 -0.726425D+00 -0.452644D+02 -0.896105D+01 -0.507367D+01
      4  -0.129789D+01 -0.443496D+01  0.306845D+02  0.159594D+02  0.260121D+01
      5  -0.274508D+01  0.542093D+01  0.967017D+01  0.157059D+01  0.958190D+01
      6   0.249274D+01 -0.387661D+00  0.675509D+01  0.113838D+01  0.354566D+01
               121           122           123           124           125 
      1   0.517806D+01  0.506972D+01 -0.327937D+01  0.291030D+02  0.229853D+01
      2  -0.130797D+01 -0.903603D+00  0.119538D+01 -0.161127D+02 -0.122643D+01
      3  -0.387009D+01 -0.416611D+01  0.208399D+01 -0.129903D+02 -0.107211D+01
      4   0.910601D+01  0.271269D+01 -0.184481D+01  0.226835D+01 -0.129788D+01
      5  -0.787702D+01 -0.256443D+01  0.255981D+01  0.104936D+02  0.274498D+01
      6  -0.146590D+01 -0.217002D+01  0.227463D+01  0.424355D+01  0.249275D+01
               126           127           128           129           130 
      1   0.476999D+01  0.909385D+01  0.805915D+01 -0.571290D+01  0.386419D+01
      2  -0.404362D+01 -0.241155D+01 -0.368707D+01  0.125005D+01 -0.343683D+01
      3  -0.726373D+00 -0.668230D+01 -0.437208D+01  0.446285D+01 -0.427355D+00
      4   0.443491D+01  0.684315D+01  0.379310D+01 -0.677065D+00  0.101675D+02
      5   0.542105D+01 -0.102293D+01 -0.124214D-01 -0.114785D+01 -0.878355D+01
      6   0.387683D+00 -0.149633D+01  0.282491D+01 -0.325229D+01 -0.536423D+01
               131           132           133           134           135 
      1  -0.107114D+02  0.954467D+01  0.143211D+01  0.132353D+02 -0.152706D+02
      2   0.101669D+02 -0.476157D+01 -0.326122D+01 -0.118671D+02  0.470066D+01
      3   0.544518D+00 -0.478310D+01  0.182910D+01 -0.136822D+01  0.105699D+02
      4   0.143294D+02 -0.123869D+02 -0.745154D+01 -0.166984D+02  0.132853D+02
      5  -0.131982D+02  0.164182D+02  0.675193D+01  0.138491D+02 -0.169414D+02
      6  -0.161055D+02  0.159889D+02  0.592330D+01  0.174393D+02 -0.183272D+02
 Leave Link  716 at Thu Jul  8 21:50:47 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118889D+03 -0.395717D-05 -0.503784D+01
      2  -0.395717D-05  0.830115D+02 -0.165573D-04
      3  -0.503784D+01 -0.165573D-04  0.754585D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.577579D+01 -0.967732D-04  0.492459D+01
      2   0.336978D-04  0.191992D+02  0.244682D-03
      3   0.350793D+02  0.398914D-03 -0.149712D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.108487D-02 -0.780291D+02 -0.881082D-03
      2  -0.155279D-02  0.262806D+02  0.217594D-03
      3   0.467921D-03  0.517485D+02  0.663488D-03
      4  -0.112120D+03 -0.141566D-02  0.599917D+02
      5  -0.950970D-03  0.608270D+02  0.119604D-02
      6   0.407319D+02 -0.150011D-03  0.399236D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.109919D+02  0.462171D+01  0.606289D+01 -0.262834D+01 -0.125269D+01
      2   0.462171D+01 -0.250441D+01  0.300353D+00 -0.125269D+01 -0.411257D+01
      3   0.606289D+01  0.300353D+00  0.197788D+01  0.160985D+00  0.106001D+00
                 6             7             8             9            10 
      1   0.160985D+00  0.359178D+01  0.304099D+01  0.255904D+01  0.657713D-03
      2   0.106001D+00  0.304099D+01  0.204646D+01  0.708136D+00 -0.111111D+02
      3   0.254608D+01  0.255904D+01  0.708136D+00 -0.442539D+01 -0.120183D-03
                11            12            13            14            15 
      1  -0.111111D+02 -0.120183D-03 -0.868482D+01  0.177368D-03 -0.522387D+01
      2   0.541442D-04 -0.936889D+00  0.177368D-03 -0.168509D+01  0.167165D-04
      3  -0.936889D+00  0.101283D-04 -0.522387D+01  0.167165D-04 -0.156780D+01
                16            17            18            19            20 
      1  -0.138776D-03 -0.735180D+01 -0.143859D-03 -0.129271D+02  0.810341D+01
      2  -0.735180D+01  0.226676D-05 -0.152580D+01  0.810341D+01 -0.644434D+01
      3  -0.143859D-03 -0.152580D+01 -0.116338D-03  0.376611D+01 -0.773910D+00
                21            22            23            24            25 
      1   0.376611D+01  0.151798D+02 -0.560710D+01 -0.416749D+00  0.121003D+02
      2  -0.773910D+00 -0.560710D+01  0.731040D+01 -0.143064D+00 -0.716534D+00
      3  -0.381046D+01 -0.416749D+00 -0.143064D+00  0.138588D+01 -0.165386D+01
                26            27            28            29            30 
      1  -0.716534D+00 -0.165386D+01  0.728844D+01 -0.467074D+01 -0.760541D+01
      2   0.870660D+00  0.520045D+00 -0.467074D+01  0.522836D+01  0.111152D+01
      3   0.520045D+00  0.265337D+01 -0.760541D+01  0.111152D+01  0.466193D+01
                31            32            33            34            35 
      1  -0.838807D+01  0.884013D+01 -0.889593D+00 -0.126748D+02  0.192939D+00
      2   0.884013D+01 -0.977244D+01  0.226088D+01  0.192939D+00  0.262743D+01
      3  -0.889593D+00  0.226088D+01  0.112898D+01  0.609369D+01  0.697592D+00
                36            37            38            39            40 
      1   0.609369D+01 -0.109921D+02  0.462183D+01 -0.606275D+01 -0.262831D+01
      2   0.697592D+00  0.462183D+01  0.250440D+01  0.300485D+00  0.125260D+01
      3  -0.271132D+01 -0.606275D+01  0.300485D+00 -0.197790D+01  0.161093D+00
                41            42            43            44            45 
      1   0.125260D+01  0.161093D+00 -0.359172D+01  0.304112D+01 -0.255902D+01
      2  -0.411261D+01 -0.106081D+00  0.304112D+01 -0.204646D+01  0.707802D+00
      3  -0.106081D+00  0.254586D+01 -0.255902D+01  0.707802D+00  0.442574D+01
                46            47            48            49            50 
      1   0.129261D+02  0.810334D+01 -0.376597D+01  0.151798D+02  0.560709D+01
      2   0.810334D+01  0.644432D+01 -0.773916D+00  0.560709D+01  0.731055D+01
      3  -0.376597D+01 -0.773916D+00  0.381040D+01 -0.416768D+00  0.143016D+00
                51            52            53            54            55 
      1  -0.416768D+00 -0.121002D+02 -0.716537D+00  0.165394D+01 -0.728789D+01
      2   0.143016D+00 -0.716537D+00 -0.870712D+00  0.520214D+00 -0.467072D+01
      3   0.138605D+01  0.165394D+01  0.520214D+00 -0.265353D+01  0.760532D+01
                56            57            58            59            60 
      1  -0.467072D+01  0.760532D+01 -0.838798D+01 -0.884007D+01 -0.889497D+00
      2  -0.522838D+01  0.111165D+01 -0.884007D+01 -0.977239D+01 -0.226100D+01
      3   0.111165D+01 -0.466199D+01 -0.889497D+00 -0.226100D+01  0.112880D+01
                61            62            63            64            65 
      1   0.126747D+02  0.193044D+00 -0.609381D+01 -0.923543D+00  0.154467D+01
      2   0.193044D+00 -0.262753D+01  0.697383D+00  0.154467D+01 -0.313103D+01
      3  -0.609381D+01  0.697383D+00  0.271150D+01  0.978204D-01  0.812716D+00
                66            67            68            69            70 
      1   0.978204D-01  0.374572D+01 -0.313701D+01  0.825578D+00  0.161978D+01
      2   0.812716D+00 -0.313701D+01  0.107406D+02 -0.229264D+01 -0.363412D+00
      3  -0.771557D+00  0.825578D+00 -0.229264D+01  0.167594D+01 -0.398145D+00
                71            72            73            74            75 
      1  -0.363412D+00 -0.398145D+00  0.109846D+01 -0.984218D-01 -0.363577D+00
      2   0.808078D+00  0.119681D+01 -0.984218D-01 -0.406971D+00 -0.113612D+00
      3   0.119681D+01 -0.117099D+01 -0.363577D+00 -0.113612D+00  0.114962D+01
                76            77            78            79            80 
      1  -0.657519D+00 -0.512546D+00  0.233181D-01 -0.204224D+01 -0.322743D+00
      2  -0.512546D+00  0.666687D+00 -0.112029D+01 -0.322743D+00 -0.182302D+01
      3   0.233181D-01 -0.112029D+01 -0.182152D+01 -0.747199D+00  0.181590D+01
                81            82            83            84            85 
      1  -0.747199D+00  0.923513D+00  0.154464D+01 -0.977973D-01  0.374574D+01
      2   0.181590D+01  0.154464D+01  0.313096D+01  0.812762D+00  0.313698D+01
      3  -0.112505D+02 -0.977973D-01  0.812762D+00  0.771589D+00  0.825634D+00
                86            87            88            89            90 
      1   0.313698D+01  0.825634D+00 -0.161969D+01 -0.363344D+00  0.398154D+00
      2   0.107405D+02  0.229281D+01 -0.363344D+00 -0.807893D+00  0.119681D+01
      3   0.229281D+01  0.167601D+01  0.398154D+00  0.119681D+01  0.117106D+01
                91            92            93            94            95 
      1  -0.109845D+01 -0.984429D-01  0.363552D+00 -0.657553D+00  0.512554D+00
      2  -0.984429D-01  0.406987D+00 -0.113564D+00  0.512554D+00  0.666561D+00
      3   0.363552D+00 -0.113564D+00 -0.114961D+01  0.233106D-01  0.112029D+01
                96            97            98            99           100 
      1   0.233106D-01  0.204223D+01 -0.322748D+00  0.747175D+00  0.211035D+01
      2   0.112029D+01 -0.322748D+00  0.182293D+01  0.181563D+01 -0.119703D+01
      3  -0.182178D+01  0.747175D+00  0.181563D+01  0.112504D+02 -0.291031D+00
               101           102           103           104           105 
      1  -0.119703D+01 -0.291031D+00 -0.200829D+01  0.135089D+01  0.161808D+01
      2  -0.357887D+00 -0.700009D+00  0.135089D+01 -0.364370D+01 -0.327215D+01
      3  -0.700009D+00 -0.124262D+01  0.161808D+01 -0.327215D+01 -0.374564D+01
               106           107           108           109           110 
      1  -0.963985D+00  0.152374D+01  0.105856D+01  0.133400D+02 -0.274804D+01
      2   0.152374D+01 -0.443582D+01 -0.364054D+01 -0.274804D+01  0.169426D+01
      3   0.105856D+01 -0.364054D+01 -0.446118D+01  0.152599D+01 -0.168734D+00
               111           112           113           114           115 
      1   0.152599D+01 -0.900877D+00  0.116210D+01  0.129025D+01  0.495182D+01
      2  -0.168734D+00  0.116210D+01 -0.346248D+00 -0.548191D+00  0.320829D+00
      3   0.113528D+01  0.129025D+01 -0.548191D+00 -0.385642D+00  0.140059D+01
               116           117           118           119           120 
      1   0.320829D+00  0.140059D+01 -0.133401D+02 -0.274813D+01 -0.152603D+01
      2  -0.568455D+00 -0.534779D+00 -0.274813D+01 -0.169429D+01 -0.168768D+00
      3  -0.534779D+00  0.512331D+00 -0.152603D+01 -0.168768D+00 -0.113526D+01
               121           122           123           124           125 
      1  -0.901018D+00 -0.116219D+01  0.129023D+01 -0.495184D+01  0.320781D+00
      2  -0.116219D+01 -0.346329D+00  0.548210D+00  0.320781D+00  0.568466D+00
      3   0.129023D+01  0.548210D+00 -0.385650D+00 -0.140054D+01 -0.534762D+00
               126           127           128           129           130 
      1  -0.140054D+01 -0.211029D+01 -0.119701D+01  0.291000D+00 -0.200828D+01
      2  -0.534762D+00 -0.119701D+01  0.357981D+00 -0.700086D+00 -0.135091D+01
      3  -0.512350D+00  0.291000D+00 -0.700086D+00  0.124267D+01  0.161801D+01
               131           132           133           134           135 
      1  -0.135091D+01  0.161801D+01  0.963953D+00  0.152368D+01 -0.105844D+01
      2  -0.364388D+01  0.327219D+01  0.152368D+01  0.443587D+01 -0.364046D+01
      3   0.327219D+01 -0.374557D+01 -0.105844D+01 -0.364046D+01  0.446095D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.152799D+01 -0.390186D+01 -0.402105D+01 -0.403564D+00 -0.111392D+02
      2   0.969515D+00 -0.459766D+00  0.229155D+01 -0.518816D+01  0.674829D+01
      3   0.419120D+01  0.423081D+01  0.554146D+01  0.640026D+01  0.258231D+01
                 6             7             8             9            10 
      1  -0.927381D+01 -0.276214D+01  0.855833D+01  0.121525D+02 -0.169314D-03
      2   0.547886D+01 -0.282620D+01 -0.112853D+01 -0.891785D+01  0.705676D+01
      3   0.602711D+00  0.425390D+01 -0.139477D+01 -0.838758D+00  0.508784D-03
                11            12            13            14            15 
      1   0.395937D+00  0.848167D-05 -0.107586D+02  0.307342D-04 -0.241112D+01
      2  -0.954005D-05  0.113244D+02 -0.214812D-04 -0.363040D+01 -0.608518D-04
      3  -0.189825D+02 -0.171055D-04  0.192509D+02  0.762152D-04 -0.101425D+01
                16            17            18            19            20 
      1  -0.134677D-03  0.745948D+00  0.135268D-04 -0.403043D+00  0.364579D+01
      2  -0.232935D+02 -0.140874D-03  0.221600D+01  0.195838D+01  0.252037D+01
      3  -0.120481D-04 -0.446554D+01 -0.195435D-04  0.507315D+00  0.882855D+01
                21            22            23            24            25 
      1  -0.651851D+01  0.316400D+01 -0.891166D+01 -0.117965D+01 -0.105352D+02
      2  -0.621031D+01  0.973969D-01 -0.376292D+01  0.436678D+01 -0.179185D+02
      3  -0.662029D+01  0.225290D+02 -0.204420D+02  0.236927D+01  0.612008D-01
                26            27            28            29            30 
      1   0.533937D+01  0.576842D+01 -0.646896D+01 -0.362911D+01  0.612897D+01
      2   0.281070D+01  0.592835D+01 -0.171483D+02  0.527301D+01  0.120004D+02
      3   0.272482D+00  0.555741D+01  0.111672D+02 -0.153064D+02  0.301183D+00
                31            32            33            34            35 
      1  -0.265117D+01  0.358399D+01 -0.351605D+01  0.227435D+01  0.411236D+01
      2  -0.286068D+01  0.924861D+01  0.291019D+01  0.247360D+01  0.693352D+01
      3  -0.111402D+02  0.172918D+02 -0.875612D+01  0.799950D+01 -0.746174D+01
                36            37            38            39            40 
      1   0.106703D+01 -0.152802D+01 -0.390204D+01  0.402095D+01 -0.403729D+00
      2  -0.436711D+01  0.969447D+00  0.459552D+00  0.229172D+01  0.518786D+01
      3  -0.852818D+01 -0.419124D+01  0.423107D+01 -0.554127D+01  0.640047D+01
                41            42            43            44            45 
      1   0.111392D+02 -0.927320D+01  0.276204D+01  0.855900D+01 -0.121527D+02
      2   0.674836D+01 -0.547841D+01 -0.282578D+01  0.112928D+01 -0.891835D+01
      3  -0.258220D+01  0.602559D+00 -0.425371D+01 -0.139475D+01  0.838393D+00
                46            47            48            49            50 
      1   0.403321D+00  0.364560D+01  0.651856D+01  0.316386D+01  0.891168D+01
      2   0.195858D+01 -0.252007D+01 -0.621045D+01 -0.969828D-01 -0.376276D+01
      3  -0.507935D+00  0.882807D+01  0.662019D+01  0.225287D+02  0.204417D+02
                51            52            53            54            55 
      1  -0.117933D+01  0.105353D+02  0.533964D+01 -0.576837D+01  0.646889D+01
      2  -0.436716D+01 -0.179189D+02 -0.281111D+01  0.592869D+01 -0.171483D+02
      3   0.236958D+01 -0.612298D-01  0.272887D+00 -0.555720D+01 -0.111671D+02
                56            57            58            59            60 
      1  -0.362886D+01 -0.612912D+01 -0.265100D+01 -0.358405D+01 -0.351614D+01
      2  -0.527353D+01  0.120007D+02  0.286024D+01  0.924867D+01 -0.290978D+01
      3  -0.153065D+02 -0.300870D+00 -0.111400D+02 -0.172913D+02 -0.875655D+01
                61            62            63            64            65 
      1  -0.227447D+01  0.411238D+01 -0.106688D+01 -0.170046D+01  0.369562D+01
      2   0.247430D+01 -0.693304D+01 -0.436784D+01 -0.278749D+01  0.107484D+01
      3  -0.799938D+01 -0.746226D+01  0.852790D+01  0.188808D+01 -0.344068D+01
                66            67            68            69            70 
      1  -0.499689D+00  0.257521D+01 -0.118644D+02 -0.172279D+01  0.124133D-03
      2   0.143711D+01  0.218598D+01 -0.109871D+01 -0.158378D+01 -0.179740D-01
      3   0.103162D+01  0.285476D+01  0.876033D+01 -0.216737D+01  0.104830D+01
                71            72            73            74            75 
      1  -0.216288D+01  0.303464D+00  0.147478D+01 -0.420510D+00 -0.119580D+01
      2  -0.201470D+01  0.135241D+01  0.286483D+01 -0.520048D+00 -0.541879D+00
      3   0.330001D+00  0.897080D+00 -0.885803D+00 -0.164837D+01  0.137236D+00
                76            77            78            79            80 
      1   0.105377D+00 -0.106418D+00  0.348225D+01  0.507181D+00  0.241989D+01
      2  -0.904954D+00  0.962784D+00  0.290508D+01 -0.418610D+01 -0.272945D+01
      3  -0.554077D+00  0.312912D-01 -0.158300D+01 -0.322332D+01 -0.197637D+01
                81            82            83            84            85 
      1   0.122694D+02  0.170045D+01  0.369555D+01  0.499784D+00  0.257515D+01
      2   0.133324D+02 -0.278741D+01 -0.107478D+01  0.143710D+01 -0.218598D+01
      3   0.362882D+00 -0.188811D+01 -0.344064D+01 -0.103166D+01  0.285479D+01
                86            87            88            89            90 
      1   0.118644D+02 -0.172254D+01 -0.707981D-04 -0.216257D+01 -0.303547D+00
      2  -0.109856D+01  0.158378D+01 -0.180008D-01  0.201459D+01  0.135247D+01
      3  -0.876022D+01 -0.216749D+01 -0.104819D+01  0.329880D+00 -0.897067D+00
                91            92            93            94            95 
      1  -0.147477D+01 -0.420563D+00  0.119578D+01  0.105355D+00  0.106253D+00
      2   0.286477D+01  0.520139D+00 -0.541816D+00  0.905066D+00  0.962776D+00
      3   0.885881D+00 -0.164834D+01 -0.137314D+00 -0.554129D+00 -0.311491D-01
                96            97            98            99           100 
      1   0.348259D+01 -0.507140D+00  0.242025D+01 -0.122692D+02  0.125235D+01
      2  -0.290540D+01 -0.418614D+01  0.272909D+01  0.133322D+02 -0.106810D+01
      3  -0.158305D+01  0.322317D+01 -0.197627D+01 -0.362600D+00  0.193520D+01
               101           102           103           104           105 
      1   0.639445D-01 -0.233043D+01  0.379636D+01 -0.134635D+01 -0.521388D+01
      2  -0.229414D+01 -0.262597D+01  0.886857D+00 -0.770263D+01 -0.920716D+01
      3   0.149559D+01  0.249194D+01 -0.102194D+01  0.861552D+01  0.832754D+01
               106           107           108           109           110 
      1  -0.143560D+01  0.181791D+01 -0.460061D+01  0.317928D+01  0.348326D+00
      2   0.156342D+01 -0.102689D+02 -0.106002D+02  0.104249D+02 -0.291505D+01
      3  -0.178706D+01  0.116554D+02  0.992529D+01 -0.489480D+01 -0.542511D+01
               111           112           113           114           115 
      1   0.117846D+01  0.511312D-01  0.235142D+00 -0.237117D+00  0.173814D+01
      2   0.685274D+01  0.352879D+01 -0.258036D+01 -0.114941D+01  0.283794D+01
      3  -0.882692D+00  0.102728D+01 -0.512557D+00  0.454404D+00 -0.631433D+01
               116           117           118           119           120 
      1   0.298134D+00 -0.190504D+00 -0.317928D+01  0.348301D+00 -0.117849D+01
      2  -0.613060D+00  0.342396D+01  0.104248D+02  0.291515D+01  0.685270D+01
      3   0.807729D+00  0.164814D+01  0.489480D+01 -0.542511D+01  0.882666D+00
               121           122           123           124           125 
      1   0.511756D-01 -0.235095D+00 -0.237156D+00 -0.173809D+01  0.298092D+00
      2  -0.352864D+01 -0.258037D+01  0.114949D+01  0.283771D+01  0.612996D+00
      3   0.102709D+01  0.512334D+00  0.454487D+00  0.631422D+01  0.807818D+00
               126           127           128           129           130 
      1   0.190495D+00 -0.125234D+01  0.638882D-01  0.233057D+01  0.379627D+01
      2   0.342401D+01 -0.106815D+01  0.229432D+01 -0.262609D+01 -0.886768D+00
      3  -0.164813D+01 -0.193525D+01  0.149587D+01 -0.249216D+01 -0.102193D+01
               131           132           133           134           135 
      1   0.134647D+01 -0.521396D+01  0.143569D+01  0.181785D+01  0.460051D+01
      2  -0.770278D+01  0.920699D+01  0.156318D+01  0.102687D+02 -0.105996D+02
      3  -0.861601D+01  0.832770D+01  0.178694D+01  0.116555D+02 -0.992514D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.395856D+01  0.106373D+02  0.661126D+01  0.354487D+01  0.380075D+01
      2  -0.533691D+01 -0.155671D+02 -0.111609D+02 -0.577176D+01 -0.198264D+02
      3   0.929547D+01  0.492983D+01  0.454965D+01  0.222688D+01  0.160256D+02
      4   0.450314D+01 -0.696449D+01  0.258689D+01 -0.154582D+01 -0.214558D+02
      5   0.230192D+02  0.748430D+01  0.126029D+02  0.236741D-02 -0.360041D+01
      6   0.148733D+02 -0.254140D+01  0.203085D+01 -0.340999D+01 -0.333838D+01
                 6             7             8             9            10 
      1  -0.555114D+01 -0.572205D+01 -0.583979D+00  0.177033D+02  0.267881D+02
      2  -0.535865D+01 -0.238307D+01  0.584247D+01  0.122847D+02 -0.501033D+01
      3   0.109098D+02  0.810511D+01 -0.525849D+01 -0.299880D+02 -0.217778D+02
      4  -0.409173D+01  0.946830D+01  0.263465D+01  0.215235D+01 -0.514464D-03
      5   0.256565D+01  0.156237D+02  0.456489D+01 -0.254967D+01 -0.438712D+02
      6   0.463114D+01  0.725030D+01  0.709840D+01  0.205421D+01  0.527286D-03
                11            12            13            14            15 
      1  -0.868321D-04 -0.559397D+00 -0.183118D-03  0.249967D+01 -0.381183D-04
      2   0.121511D-03  0.603559D+01  0.248813D-03  0.402691D+01  0.143228D-03
      3  -0.346784D-04 -0.547619D+01 -0.656944D-04 -0.652659D+01 -0.105109D-03
      4   0.207315D+02  0.142958D-03 -0.674632D+01  0.146638D-04  0.275938D+01
      5   0.196716D-03  0.358782D+01  0.285707D-03 -0.101624D+02  0.354776D-04
      6  -0.758866D+01 -0.356986D-04 -0.117161D+02  0.300882D-03 -0.394477D+01
                16            17            18            19            20 
      1   0.121965D+02  0.106411D-04 -0.587766D+01 -0.312440D+02  0.649150D+01
      2  -0.120425D+01  0.312516D-03  0.644887D+00  0.119687D+02  0.876222D+01
      3  -0.109922D+02 -0.323157D-03  0.523277D+01  0.192753D+02 -0.152537D+02
      4   0.235699D-03  0.154205D+01 -0.195807D-04  0.265329D+02 -0.309515D+02
      5  -0.259858D+02 -0.108944D-03 -0.586109D+01  0.364242D+02 -0.847973D+01
      6  -0.129010D-03 -0.757932D+01 -0.235774D-03 -0.583161D+01  0.136131D+01
                21            22            23            24            25 
      1   0.142654D+02  0.240979D+02 -0.130794D+02 -0.377514D+01  0.184949D+02
      2  -0.128767D+02 -0.956049D+01  0.106822D+01  0.873080D+01 -0.710761D+01
      3  -0.138873D+01 -0.145375D+02  0.120112D+02 -0.495566D+01 -0.113873D+02
      4  -0.448026D+01 -0.221930D+02  0.355750D+02 -0.260660D+01 -0.206911D+02
      5  -0.230558D+02 -0.191932D+02  0.423323D+01  0.142579D+02 -0.653335D+01
      6   0.549585D+01  0.613663D+01 -0.408139D+01  0.406211D+01  0.589289D+01
                26            27            28            29            30 
      1   0.105203D+01 -0.152277D+02  0.459277D+01 -0.663194D+01 -0.294618D+02
      2  -0.790038D+01  0.387435D+01 -0.438044D+01 -0.330648D+01  0.210836D+02
      3   0.684834D+01  0.113533D+02 -0.212324D+00  0.993842D+01  0.837818D+01
      4   0.449452D+01  0.177309D+01 -0.136173D+02  0.281282D+02  0.992215D+01
      5   0.479639D+00  0.100707D+02 -0.486905D+02  0.793312D+01  0.279129D+02
      6   0.651103D+01 -0.661443D+01  0.984052D+01 -0.451379D+01 -0.377363D+01
                31            32            33            34            35 
      1  -0.610389D+01  0.122884D+02  0.100866D+02 -0.473603D+02  0.136689D+02
      2  -0.136753D+02  0.173510D+02 -0.547788D+01  0.335320D+02 -0.116870D+02
      3   0.197792D+02 -0.296394D+02 -0.460876D+01  0.138283D+02 -0.198189D+01
      4   0.482222D+02 -0.468108D+02  0.595173D+01  0.671190D+01  0.759123D+01
      5  -0.900864D+00  0.751392D+01  0.348699D+01  0.387790D+02 -0.515141D+00
      6  -0.141215D+01 -0.106862D+02 -0.245089D+01 -0.653395D+01 -0.159516D+01
                36            37            38            39            40 
      1   0.234973D+02 -0.395853D+01 -0.106372D+02  0.661082D+01 -0.354466D+01
      2  -0.206531D+02 -0.533627D+01  0.155675D+02 -0.111605D+02  0.577206D+01
      3  -0.284421D+01  0.929479D+01 -0.493029D+01  0.454965D+01 -0.222740D+01
      4   0.984936D+00 -0.450340D+01 -0.696451D+01 -0.258727D+01 -0.154557D+01
      5  -0.186338D+02  0.230191D+02 -0.748476D+01  0.126026D+02 -0.281876D-02
      6  -0.782161D+01 -0.148735D+02 -0.254085D+01 -0.203128D+01 -0.340958D+01
                41            42            43            44            45 
      1   0.380080D+01  0.555043D+01 -0.572231D+01  0.583182D+00  0.177041D+02
      2  -0.198266D+02  0.535771D+01 -0.238251D+01 -0.584367D+01  0.122850D+02
      3   0.160258D+02 -0.109081D+02  0.810482D+01  0.526049D+01 -0.299891D+02
      4   0.214563D+02 -0.409136D+01 -0.946889D+01  0.263509D+01 -0.215187D+01
      5  -0.359995D+01 -0.256568D+01  0.156236D+02 -0.456447D+01 -0.255039D+01
      6   0.333738D+01  0.463146D+01 -0.725050D+01  0.709798D+01 -0.205244D+01
                46            47            48            49            50 
      1  -0.312428D+02 -0.649164D+01  0.142653D+02 -0.240980D+02 -0.130796D+02
      2   0.119679D+02 -0.876201D+01 -0.128765D+02  0.956021D+01  0.106797D+01
      3   0.192749D+02  0.152536D+02 -0.138882D+01  0.145378D+02  0.120117D+02
      4  -0.265318D+02 -0.309513D+02  0.448045D+01 -0.221935D+02 -0.355754D+02
      5   0.364234D+02  0.847991D+01 -0.230554D+02  0.191932D+02  0.423338D+01
      6   0.583096D+01  0.136090D+01 -0.549601D+01  0.613653D+01  0.408078D+01
                51            52            53            54            55 
      1   0.377587D+01  0.184945D+02 -0.105156D+01 -0.152282D+02  0.459173D+01
      2  -0.873123D+01 -0.710702D+01  0.790007D+01  0.387423D+01 -0.437985D+01
      3   0.495536D+01 -0.113874D+02 -0.684851D+01  0.113539D+02 -0.211876D+00
      4  -0.260640D+01  0.206912D+02  0.449431D+01 -0.177359D+01  0.136164D+02
      5  -0.142583D+02 -0.653295D+01 -0.480026D+00  0.100709D+02 -0.486899D+02
      6   0.406187D+01 -0.589275D+01  0.651139D+01  0.661449D+01 -0.984049D+01
                56            57            58            59            60 
      1   0.663164D+01 -0.294612D+02  0.610338D+01  0.122887D+02 -0.100875D+02
      2   0.330652D+01  0.210832D+02  0.136753D+02  0.173505D+02  0.547888D+01
      3  -0.993817D+01  0.837805D+01 -0.197787D+02 -0.296392D+02  0.460861D+01
      4   0.281280D+02 -0.992273D+01  0.482215D+02  0.468106D+02  0.595202D+01
      5  -0.793366D+01  0.279129D+02  0.900284D+00  0.751426D+01 -0.348609D+01
      6  -0.451391D+01  0.377413D+01 -0.141186D+01  0.106871D+02 -0.245076D+01
                61            62            63            64            65 
      1  -0.473598D+02 -0.136697D+02  0.234975D+02  0.415377D+01  0.231377D+01
      2   0.335316D+02  0.116880D+02 -0.206534D+02  0.310193D+01 -0.919608D+01
      3   0.138281D+02  0.198171D+01 -0.284405D+01 -0.725570D+01  0.688231D+01
      4  -0.671261D+01  0.759133D+01 -0.983850D+00 -0.101198D+02  0.175748D+02
      5   0.387794D+02  0.516198D+00 -0.186347D+02  0.640537D+00 -0.473408D+01
      6   0.653457D+01 -0.159492D+01  0.782104D+01 -0.148632D+01  0.557383D+01
                66            67            68            69            70 
      1  -0.226011D+01  0.111678D+01 -0.219031D+02  0.592143D+01 -0.161925D+01
      2   0.308715D+01 -0.925955D+01  0.421909D+02 -0.560603D+01  0.482511D-02
      3  -0.827034D+00  0.814278D+01 -0.202878D+02 -0.315394D+00  0.161442D+01
      4  -0.399291D+01  0.166090D+02 -0.351819D+02  0.789930D+01  0.153222D+01
      5   0.450582D+01 -0.506552D+01  0.972019D+01 -0.523933D+01  0.641400D+00
      6  -0.262999D+01  0.727483D+01 -0.178473D+02  0.972864D+01 -0.143800D+01
                71            72            73            74            75 
      1   0.468017D+00 -0.500010D+01 -0.183404D+00  0.295935D+00  0.433178D+01
      2   0.526131D+01  0.786344D+00 -0.192007D+01 -0.625355D+00  0.135199D+01
      3  -0.572933D+01  0.421376D+01  0.210347D+01  0.329420D+00 -0.568377D+01
      4  -0.203033D+01 -0.425908D+01  0.795352D+00  0.360069D+01 -0.179593D+01
      5  -0.375891D+01  0.282803D+01 -0.623581D+00 -0.837936D+00  0.553518D+01
      6   0.517003D+01 -0.271108D+01  0.107725D+01 -0.488845D-01  0.113938D+01
                76            77            78            79            80 
      1   0.232745D+01 -0.438565D+01 -0.420569D+01  0.125258D+01  0.740397D+01
      2  -0.205096D+01  0.328207D+01 -0.638738D+01 -0.239139D+01 -0.484328D+00
      3  -0.276489D+00  0.110358D+01  0.105931D+02  0.113880D+01 -0.691964D+01
      4   0.245272D+01 -0.250890D+01  0.317969D+01  0.340704D-01  0.453488D+01
      5   0.212970D+01  0.297608D+01  0.269837D+01  0.668038D+01 -0.388441D+01
      6   0.157949D+01 -0.123123D+01  0.546677D+01 -0.868394D+00  0.817906D+01
                81            82            83            84            85 
      1  -0.326866D+02  0.415373D+01 -0.231378D+01 -0.226019D+01 -0.111674D+01
      2  -0.224240D+02  0.310183D+01  0.919571D+01  0.308725D+01  0.925912D+01
      3   0.551106D+02 -0.725556D+01 -0.688193D+01 -0.827056D+00 -0.814238D+01
      4  -0.320283D+01  0.101196D+02  0.175744D+02  0.399314D+01  0.166088D+02
      5   0.202180D+02  0.640684D+00  0.473430D+01  0.450599D+01  0.506589D+01
      6  -0.130531D+02  0.148650D+01  0.557412D+01  0.263020D+01  0.727517D+01
                86            87            88            89            90 
      1  -0.219030D+02 -0.592184D+01 -0.161932D+01 -0.468382D+00 -0.500022D+01
      2   0.421901D+02  0.560653D+01  0.500403D-02 -0.526058D+01  0.786258D+00
      3  -0.202870D+02  0.315317D+00  0.161431D+01  0.572896D+01  0.421396D+01
      4   0.351813D+02  0.789983D+01 -0.153189D+01 -0.202970D+01  0.425910D+01
      5   0.972073D+01  0.523964D+01  0.641451D+00  0.375898D+01  0.282826D+01
      6   0.178485D+02  0.972915D+01  0.143812D+01  0.517010D+01  0.271132D+01
                91            92            93            94            95 
      1  -0.183360D+00 -0.296135D+00  0.433166D+01 -0.232749D+01 -0.438551D+01
      2  -0.191999D+01  0.625331D+00  0.135207D+01  0.205094D+01  0.328182D+01
      3   0.210335D+01 -0.329196D+00 -0.568373D+01  0.276549D+00  0.110369D+01
      4  -0.795380D+00  0.360060D+01  0.179585D+01  0.245272D+01  0.250856D+01
      5  -0.623620D+00  0.837850D+00  0.553515D+01 -0.212987D+01  0.297607D+01
      6  -0.107741D+01 -0.488013D-01 -0.113919D+01  0.157954D+01  0.123085D+01
                96            97            98            99           100 
      1   0.420652D+01  0.125255D+01 -0.740311D+01 -0.326863D+02  0.909410D+01
      2   0.638775D+01 -0.239132D+01  0.484680D+00 -0.224243D+02 -0.241171D+01
      3  -0.105943D+02  0.113877D+01  0.691843D+01  0.551106D+02 -0.668239D+01
      4   0.317969D+01 -0.342170D-01  0.453472D+01  0.320240D+01 -0.684334D+01
      5  -0.269878D+01  0.668024D+01  0.388397D+01  0.202178D+02 -0.102318D+01
      6   0.546679D+01  0.868330D+00  0.817850D+01  0.130513D+02  0.149646D+01
               101           102           103           104           105 
      1  -0.805884D+01 -0.571278D+01 -0.386424D+01 -0.107108D+02 -0.954435D+01
      2   0.368678D+01  0.124992D+01  0.343713D+01  0.101659D+02  0.476098D+01
      3   0.437207D+01  0.446286D+01  0.427112D+00  0.544874D+00  0.478337D+01
      4   0.379330D+01  0.677333D+00  0.101674D+02 -0.143289D+02 -0.123869D+02
      5   0.127135D-01 -0.114754D+01  0.878397D+01 -0.131982D+02 -0.164186D+02
      6   0.282455D+01  0.325197D+01 -0.536426D+01  0.161051D+02  0.159889D+02
               106           107           108           109           110 
      1   0.143219D+01 -0.132350D+02 -0.152707D+02  0.834107D+02 -0.125710D+02
      2  -0.326103D+01  0.118664D+02  0.470010D+01 -0.381463D+02  0.361020D+01
      3   0.182884D+01  0.136857D+01  0.105706D+02 -0.452644D+02  0.896077D+01
      4   0.745190D+01 -0.166986D+02 -0.132859D+02 -0.306835D+02  0.159590D+02
      5   0.675260D+01 -0.138496D+02 -0.169426D+02  0.966992D+01 -0.157041D+01
      6  -0.592371D+01  0.174395D+02  0.183278D+02 -0.675495D+01  0.113829D+01
               111           112           113           114           115 
      1   0.914748D+01 -0.517745D+01  0.506950D+01  0.327951D+01  0.291032D+02
      2  -0.407380D+01  0.130784D+01 -0.903662D+00 -0.119545D+01 -0.161128D+02
      3  -0.507369D+01  0.386961D+01 -0.416583D+01 -0.208406D+01 -0.129904D+02
      4  -0.260102D+01  0.910529D+01 -0.271212D+01 -0.184473D+01 -0.226794D+01
      5   0.958195D+01  0.787714D+01 -0.256434D+01 -0.255975D+01  0.104939D+02
      6  -0.354562D+01 -0.146592D+01  0.216999D+01  0.227462D+01 -0.424363D+01
               116           117           118           119           120 
      1  -0.229827D+01  0.477019D+01  0.834106D+02  0.125713D+02  0.914753D+01
      2   0.122627D+01 -0.404377D+01 -0.381463D+02 -0.361029D+01 -0.407386D+01
      3   0.107200D+01 -0.726425D+00 -0.452644D+02 -0.896105D+01 -0.507367D+01
      4  -0.129789D+01 -0.443496D+01  0.306845D+02  0.159594D+02  0.260121D+01
      5  -0.274508D+01  0.542093D+01  0.967017D+01  0.157059D+01  0.958190D+01
      6   0.249274D+01 -0.387661D+00  0.675509D+01  0.113838D+01  0.354566D+01
               121           122           123           124           125 
      1   0.517806D+01  0.506972D+01 -0.327937D+01  0.291030D+02  0.229853D+01
      2  -0.130797D+01 -0.903603D+00  0.119538D+01 -0.161127D+02 -0.122643D+01
      3  -0.387009D+01 -0.416611D+01  0.208399D+01 -0.129903D+02 -0.107211D+01
      4   0.910601D+01  0.271269D+01 -0.184481D+01  0.226835D+01 -0.129788D+01
      5  -0.787702D+01 -0.256443D+01  0.255981D+01  0.104936D+02  0.274498D+01
      6  -0.146590D+01 -0.217002D+01  0.227463D+01  0.424355D+01  0.249275D+01
               126           127           128           129           130 
      1   0.476999D+01  0.909385D+01  0.805915D+01 -0.571290D+01  0.386419D+01
      2  -0.404362D+01 -0.241155D+01 -0.368707D+01  0.125005D+01 -0.343683D+01
      3  -0.726373D+00 -0.668230D+01 -0.437208D+01  0.446285D+01 -0.427355D+00
      4   0.443491D+01  0.684315D+01  0.379310D+01 -0.677065D+00  0.101675D+02
      5   0.542105D+01 -0.102293D+01 -0.124214D-01 -0.114785D+01 -0.878355D+01
      6   0.387683D+00 -0.149633D+01  0.282491D+01 -0.325229D+01 -0.536423D+01
               131           132           133           134           135 
      1  -0.107114D+02  0.954467D+01  0.143211D+01  0.132353D+02 -0.152706D+02
      2   0.101669D+02 -0.476157D+01 -0.326122D+01 -0.118671D+02  0.470066D+01
      3   0.544518D+00 -0.478310D+01  0.182910D+01 -0.136822D+01  0.105699D+02
      4   0.143294D+02 -0.123869D+02 -0.745154D+01 -0.166984D+02  0.132853D+02
      5  -0.131982D+02  0.164182D+02  0.675193D+01  0.138491D+02 -0.169414D+02
      6  -0.161055D+02  0.159889D+02  0.592330D+01  0.174393D+02 -0.183272D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.924530D+02      0.137001D+02      0.152434D+02
   aniso      0.411263D+02      0.609429D+01      0.678081D+01
   xx         0.118889D+03      0.176175D+02      0.196022D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.830115D+02      0.123010D+02      0.136867D+02
   zx        -0.503784D+01     -0.746531D+00     -0.830628D+00
   zy        -0.165573D-04     -0.245353D-05     -0.272992D-05
   zz         0.754585D+02      0.111818D+02      0.124414D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.924530D+02      0.137001D+02      0.152434D+02
   aniso      0.411263D+02      0.609429D+01      0.678081D+01
   xx         0.118889D+03      0.176175D+02      0.196021D+02
   yx         0.503888D+01      0.746686D+00      0.830800D+00
   yy         0.754588D+02      0.111818D+02      0.124415D+02
   zx        -0.843477D-03     -0.124990D-03     -0.139070D-03
   zy        -0.137876D-03     -0.204311D-04     -0.227326D-04
   zz         0.830115D+02      0.123010D+02      0.136867D+02

 ----------------------------------------------------------------------
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 BOOKS ARE LIGHTHOUSES ERECTED IN THE GREAT SEA OF TIME.
     -- E.P.WHIPPLE
 Job cpu time:       0 days  2 hours 36 minutes 49.6 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 49.9 seconds.
 File lengths (MBytes):  RWF=    216 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:50:47 2021.
